SCHEMBL458354

SCHEMBL458354

Cc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
TSHR P16473 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
GPR35 Q9HC97 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL58127 0.85 HSD17B10 (0.54) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL57882 0.80 TSHR (0.40) HSD17B10TSHRTDP1MAPTALDH1A1
SCHEMBL2767392 0.79
SCHEMBL6670326 0.77 HSD17B10 (0.50) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL457758 0.76 ALDH1A1 (0.41) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL429269 0.76 ALDH1A1 (0.58) HSD17B10SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL158733 0.75 GPR35 (0.47) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL407090 0.75 TDP1 (0.48) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL2783828 0.75 TDP1 (0.48) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL29172280 0.75 PARP1 (0.37) HSD17B10TSHRTDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP claimed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN claimed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP claimed
EP-1188754-B1 SUBSTITUTED PYRAZOLE COMPOUNDS TEIKOKU HORMONE MFG CO LTD (JP) 2005-06-01 EP claimed
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN claimed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 US claimed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN claimed
US-6815442-B2 A PHENOXY-ALKYL-QUINOXALINONE DERIVATIVES FOR INHIBITING DRUG TRANSPORT PROTEINS THAT EFFLUX THERAPEUTIC AGENTS FROM CELLS; SYNERGISTIC THE PENN STATE RESEARCH FOUNDATION 2004-11-09 US claimed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US claimed
WO-1991000294-A1 MONOCLONAL AND POLYCLONAL ANTIBODIES AND TEST METHOD FOR DETERMINATION OF FENITROTHION AND CLOSELY RELATED ORGANOPHOSPHATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1991-01-10 WO claimed
US-4885286-A LONG LASTING; CARBAMATE PHOSPHORYLATION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-12-05 US claimed
EP-0327663-A1 Novel phosphonamidothionate derivatives and their use as pesticides Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-08-16 EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
EP-0128462-B1 NOVEL BENZOTHIAZEPINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1989-03-22 EP claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed
US-3966921-A NEMATOCIDES CIBA-GEIGY CORPORATION (US) 1976-06-29 US 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 (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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 HSD17B10 3997/4885TSHR 631/4885SMN1; SMN2 3154/4885

“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.