SCHEMBL3595597

SCHEMBL3595597

COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HPGD P15428 1/20 0.67
ALDH1A1 P00352 4/20 0.65
GAA P10253 2/20 0.65
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 4/20 0.63
NPSR1 Q6W5P4 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
METAP2 P50579 1/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 1/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60

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
SCHEMBL7159826 0.88 MEN1 (0.60) HTTSMN1; SMN2HPGDALDH1A1GAA
SCHEMBL4958960 0.86 ALDH1A1 (0.77) HTTSMN1; SMN2ALDH1A1GAANCOA1
SCHEMBL8711203 0.85 RAB9A (0.74) HTTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL5222691 0.84 ALDH1A1 (0.70) HTTSMN1; SMN2HPGDALDH1A1GAA
Methyl Alcohol SCHEMBL4957272 0.84 GAA (0.73) HTTSMN1; SMN2ALDH1A1GAANCOA1
SCHEMBL995085 0.84 GAA (0.77) HTTSMN1; SMN2ALDH1A1GAANCOA1
SCHEMBL5223546 0.83 NPC1 (0.59) HTTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5226429 0.83 RAB9A (0.78) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL2309322 0.83 KMT2A (0.73) ALDH1A1NPC1RAB9ANPSR1L3MBTL1
SCHEMBL94829 0.82 GAA (0.71) HTTSMN1; SMN2ALDH1A1GAANCOA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646908-B Method for preparing aromatic amine compound 宜昌尚诺德生物医药科技有限公司 2023-03-10 CN disclosed
CN-111732493-B Synthesis process of arylamine compound 宜昌尚诺德生物医药科技有限公司 2023-01-24 CN disclosed
CN-111732493-A Synthesis process of arylamine compound 宜昌尚诺德生物医药科技有限公司 2020-10-02 CN disclosed
CN-111646908-A Method for preparing aromatic amine compound 宜昌尚诺德生物医药科技有限公司 2020-09-11 CN disclosed
CN-106800493-B Method for reducing aromatic nitro group into aromatic amine 宜昌尚诺德生物医药科技有限公司 2020-06-30 CN disclosed
CN-106800493-A Method for reducing aromatic nitro group into aromatic amine 三峡大学 2017-06-06 CN disclosed
EP-1963276-B9 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-09-26 EP disclosed
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 EP disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
EP-1963276-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Genetics EHF (IS) 2008-09-03 EP disclosed
WO-2007073405-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-06-28 WO disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 US disclosed
US-4123554-A Fungicidal and germicidal benzanilides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1978-10-31 US disclosed
US-3985804-A Agricultural substituted 2-methylbenzanilide germicide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-10-12 US disclosed
US-3937840-A COMPOSITIONS AND METHODS OF COMBATTING BACTERIA AND FUNGI USING 2-METHYLBENZANILIDE DERIVATIVES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1976-02-10 US disclosed

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

For each of this compound's patents that has machine-readable text (1 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HTT 2529/4885SMN1; SMN2 4852/4885HPGD 124/4885

“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.