SCHEMBL1142893

SCHEMBL1142893

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.59
GPR35 Q9HC97 2/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
KMT2A Q03164 1/20 0.46
CTSB P07858 1/20 0.45
KAT2B Q92831 1/20 0.44

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
SCHEMBL31432469 1.00 VCAM1 (0.59) VCAM1GPR35MAPTALDH1A1HPGD
SCHEMBL6825032 0.89 VCAM1 (0.49) VCAM1GPR35MAPTALDH1A1HPGD
SCHEMBL103929 0.85 VCAM1 (0.64) VCAM1GPR35MAPTALDH1A1HPGD
SCHEMBL31326843 0.85 VCAM1 (0.64) VCAM1GPR35MAPTALDH1A1HPGD
SCHEMBL7153973 0.83 GPR35 (0.58) VCAM1GPR35MAPTALDH1A1HPGD
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1MAPTHPGDLMNACYP3A4
SCHEMBL4385438 0.79 VCAM1 (0.61) VCAM1MAPTALDH1A1HPGDCYP1A2
SCHEMBL16953147 0.78 VCAM1 (0.59) VCAM1MAPTLMNATDP1KMT2A
SCHEMBL1068675 0.78 VCAM1 (0.59) VCAM1MAPTALDH1A1LMNAPOLB
SCHEMBL14220808 0.78 VCAM1 (0.59) VCAM1MAPTHPGDLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed
US-20240300934-A1 COMPOUNDS FOR MODULATING MYCOBACTERIUM TUBERCULOSIS RESPONSE RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2024-09-12 US disclosed
WO-2023283608-A1 COMPOUNDS FOR MODULATING MYCOBACTERIUM TUBERCULOSIS RESPONSE TRUSTEES OF TUFTS COLLEGE (US) 2023-01-12 WO disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
CN-107001267-A Condensed heterocyclic compouds 马合伙人株式会社 2017-08-01 CN disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP disclosed
US-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-5840764-A SMOOTH MUSCLE RELAXANTS FOR TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-24 US disclosed
WO-1998033763-A1 SUBSTITUTED HYDROXY-ANILINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-06 WO disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
CN-1174829-A Selective nitration of phenol derivatives JUNSEI CHEMICAL (JP) 1998-03-04 CN disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996028443-A1 THERAPEUTIC BENZOXAZOLES THE WELLCOME FOUNDATION LIMITED (GB) 1996-09-19 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO 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 (3 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-20240300934-A1 COMPOUNDS FOR MODULATING MYCOBACTERIUM TUBERCULOSIS RESPONSE IFNG, NFATC1, RELA VCAM1 2982/4885GPR35 2500/4885MAPT 3282/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 VCAM1 4265/4885GPR35 1158/4885MAPT 1807/4885
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 VCAM1 1029/4885GPR35 2980/4885MAPT 3961/4885

“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.