SCHEMBL61902

SCHEMBL61902

Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
TSHR P16473 7/20 0.67
TDP1 Q9NUW8 4/20 0.67
GPR35 Q9HC97 4/20 0.62
CYP3A4 P08684 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
ERN1 O75460 1/20 0.52
MAPT P10636 2/20 0.51
ALOX15 P16050 3/20 0.50
ACHE P22303 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PMP22 Q01453 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL9388499 0.98 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35CYP3A4
Methacrylic Acid SCHEMBL29724198 0.87 ALDH1A1 (0.51) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL61129 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL28298962 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL11028069 0.80 GPR35 (0.69) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1GPR35CYP3A4
4-Nitrocatechol SCHEMBL11765698 0.80 TSHR (0.69) ALDH1A1TSHRTDP1GPR35SMN1; SMN2
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1GPR35CYP3A4
4-Nitrocatechol SCHEMBL156909 0.80 TSHR (0.69) ALDH1A1TSHRTDP1GPR35SMN1; SMN2
4-Nitrocatechol SCHEMBL1608536 0.80 TSHR (0.69) ALDH1A1TSHRTDP1GPR35SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 676 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899194-B Bicyclic heteroaryl BRAF negative allosteric modulator, and preparation method and application thereof 浙江省人民医院 2025-06-24 CN claimed
CN-119899194-A Bicyclic heteroaryl BRAF negative allosteric modulator, and preparation method and application thereof 浙江省人民医院 2025-04-29 CN claimed
CN-111662192-A Synthesis process of 4-amino-6-hydroxy benzyl bromide 湖北仙盛科技股份有限公司 2020-09-15 CN claimed
CN-105837452-B 2- methyl-5-nitro phenol production process 田志高 2019-01-29 CN claimed
CN-105837452-A Production method of 2-methyl-5-nitrophenol 田志高 2016-08-10 CN claimed
CN-105218376-A A kind of synthetic method of 2-methyl-5-nitro phenol DING YUQIN 2016-01-06 CN claimed
EP-1437749-B1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR RUBYCON CORP (JP) 2013-07-17 EP claimed
US-20100258033-A1 WOOD ADHESIVE AND METHOD OF PREPARING THEREOF YANG GUANG 2010-10-14 US claimed
EP-2236578-A1 A NEW LUMBER ADHESIVE AND THE PREPARATION THEREOF Yang, Guang (CN) 2010-10-06 EP claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885TSHR 3307/4885TDP1 1720/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP ALDH1A1 2079/4885TSHR 4233/4885TDP1 1793/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885TSHR 3307/4885TDP1 1720/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 2277/4885TSHR 3307/4885TDP1 1720/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP ALDH1A1 2611/4885TSHR 2481/4885TDP1 1817/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP ALDH1A1 2588/4885TSHR 4329/4885TDP1 1938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.