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SCHEMBL6295397

SCHEMBL6295397

O=[N+]([O-])c1ccc(CCO)c(CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.58
▸ CYP1A2 P05177 1/20 0.49
▸ GPR35 Q9HC97 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.42

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
SCHEMBL6291402 0.93 TSHR (0.55) TSHRCYP1A2GPR35ALDH1A1POLB
SCHEMBL5129064 0.93 TSHR (0.55) TSHRCYP1A2GPR35ALDH1A1POLB
SCHEMBL30068941 0.93 TSHR (0.55) TSHRCYP1A2GPR35ALDH1A1POLB
SCHEMBL13375079 0.91 TSHR (0.53) TSHRCYP1A2GPR35ALDH1A1POLB
SCHEMBL30291130 0.87 CYP1A2 (0.65) TSHRCYP1A2GPR35ALDH1A1HTT
SCHEMBL679338 0.87 CYP1A2 (0.65) TSHRCYP1A2GPR35ALDH1A1HTT
SCHEMBL30938689 0.86 TSHR (0.47) TSHRCYP1A2GPR35ALDH1A1POLB
SCHEMBL9119944 0.85 TSHR (0.47) TSHRCYP1A2ALDH1A1POLBHTT
SCHEMBL27496676 0.85 TSHR (0.55) TSHRCYP1A2GPR35ALDH1A1TP53
SCHEMBL1470136 0.85 TSHR (0.55) TSHRCYP1A2GPR35ALDH1A1TP53

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
WO-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 — — WO disclosed
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 — — US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 — — WO disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 — — US disclosed
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 — — US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 — — US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 — — US disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 — — WO disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 — — WO disclosed
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 — — US disclosed
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-23 — — US disclosed
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-09 — — US disclosed
EP-1337530-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company (US) 2003-08-27 — — EP disclosed
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA & UPJOHN COMPANY 2002-09-19 — — US disclosed
WO-2002059115-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 — — WO disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 — — EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 — — 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 (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-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 TSHR 3916/4885CYP1A2 1085/4885GPR35 4105/4885
US-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 TSHR 1108/4885CYP1A2 506/4885GPR35 320/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 TSHR 3916/4885CYP1A2 1085/4885GPR35 4105/4885
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885CYP1A2 20/4885GPR35 691/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A TSHR 646/4885CYP1A2 361/4885GPR35 313/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 TSHR 3916/4885CYP1A2 1085/4885GPR35 4105/4885

“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.