SCHEMBL1343971

SCHEMBL1343971

Cc1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.64
ALDH1A1 P00352 8/20 0.60
TSHR P16473 4/20 0.60
TDP1 Q9NUW8 3/20 0.60
LMNA P02545 5/20 0.55
CYP3A4 P08684 3/20 0.55
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.49
XDH P47989 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL29557322 1.00 VCAM1 (0.64) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL1232789 0.85 ALDH1A1 (0.60) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL27638357 0.83 ALDH1A1 (0.62) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL73860 0.82 VCAM1 (0.70) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL23648373 0.81 ALDH1A1 (0.60) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL16957776 0.81 ALDH1A1 (0.60) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL29980060 0.81 ALDH1A1 (0.60) VCAM1ALDH1A1TSHRTDP1LMNA
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL24401755 0.80 ALDH1A1 (0.58) VCAM1ALDH1A1TSHRTDP1LMNA
SCHEMBL698847 0.79 VCAM1 (0.66) VCAM1ALDH1A1TSHRTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US claimed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
US-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2025-07-03 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
EP-0128382-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE BASF Aktiengesellschaft (DE) 1989-09-27 EP disclosed
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 EP disclosed
US-4512929-A POLYURETHANE MONOMERS, PLANT SAFENING AGENT BASF AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0128382-A1 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
EP-0091054-A1 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use BASF Aktiengesellschaft (DE) 1983-10-12 EP disclosed
US-4167629-A OPTICAL BRIGHTENERS SANDOZ LTD. (CH) 1979-09-11 US disclosed
US-4088497-A Acutance agents for use in thermally-developable photosensitive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-09 US disclosed
US-4033948-A METHINE ARYLIDENE DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-07-05 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 (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-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR VCAM1 3893/4885ALDH1A1 1427/4885TSHR 282/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 VCAM1 574/4885ALDH1A1 1136/4885TSHR 3844/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VCAM1 574/4885ALDH1A1 1136/4885TSHR 3844/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 VCAM1 574/4885ALDH1A1 1136/4885TSHR 3844/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B VCAM1 2827/4885ALDH1A1 129/4885TSHR 4782/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 VCAM1 574/4885ALDH1A1 1136/4885TSHR 3844/4885

“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.