SCHEMBL138990

SCHEMBL138990

Cc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
CYP3A4 P08684 5/20 0.67
TDP1 Q9NUW8 7/20 0.64
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
RECQL P46063 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
MAPK1 P28482 1/20 0.49
ALOX15 P16050 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KAT2B Q92831 1/20 0.47

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
SCHEMBL31365116 1.00 TSHR (0.71) TSHRCYP3A4TDP1MAPTALDH1A1
Hydrazine SCHEMBL28276045 0.98 TSHR (0.69) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL11595175 0.93 TSHR (0.86) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL8215786 0.84 TSHR (0.53) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL98492 0.83 TSHR (1.00) TSHRCYP3A4TDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL3172274 0.82 TSHR (0.96) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL11012447 0.81 MAPT (0.60) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL11631033 0.81 PDE7A (0.55) TSHRCYP3A4TDP1MAPTALDH1A1
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4TDP1MAPTALDH1A1
Nitrogen SCHEMBL10942334 0.79 TSHR (0.89) TSHRCYP3A4TDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107087883-B Nail-beautifying aluminum foil and manufacturing method thereof 涿州皓原箔业有限公司 2020-10-09 CN claimed
CN-106432108-B A kind of hydrazone compounds and the preparation method and application thereof of the structure of benzopyrazines containing methyl 浙江工业大学 2019-02-22 CN claimed
CN-107501236-A A kind of preparation method of 2 substituted benzimidazole derivatives 长沙深橙生物科技有限公司 2017-12-22 CN claimed
CN-107087883-A A kind of manicure aluminium foil and its manufacture method 涿州皓原箔业有限公司 2017-08-25 CN claimed
CN-106590027-A Disperse dye composition, and preparation method and application thereof 浙江闰土研究院有限公司 2017-04-26 CN claimed
CN-106432108-A Hydrazone compound containing methyl quinoxaline structure, preparation method and application thereof 浙江工业大学 2017-02-22 CN claimed
CN-106323687-A Method for extracting aromatic amine, detection method, kit and application 福建中烟工业有限责任公司 2017-01-11 CN claimed
CN-106283671-A Durable elastic composite material 耿云花 2017-01-04 CN claimed
CN-106237578-A Long-life elasticity uniform trampoline 耿云花 2016-12-21 CN claimed
CN-105858722-A Preparation method of N-doped TiO2 福建中烟工业有限责任公司 2016-08-17 CN claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
EP-0918220-B1 Diazonium ion assay reagents and methods for their use ROCHE DIAGNOSTICS CORP (US) 2001-08-01 EP claimed
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP claimed
EP-4741395-A1 NOVEL COMPOUND SENSITIVE TO NITROGEN MONOXIDE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Omniamed Co. Ltd (KR) 2026-05-13 EP disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (2 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG TSHR 3812/4885CYP3A4 717/4885TDP1 4729/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG TSHR 3812/4885CYP3A4 717/4885TDP1 4729/4885

“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.