SCHEMBL2471756

SCHEMBL2471756

Cc1cc([N+](=O)[O-])c(C)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TSHR P16473 5/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 3/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GPR35 Q9HC97 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NLRP1 Q9C000 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL29479185 0.91 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL1828398 0.91 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL29525219 0.89 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL440478 0.89 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL29805163 0.87 TDP1 (0.50) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL187542 0.87 TDP1 (0.50) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL397387 0.87 ATM (0.50) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL107162 0.87 TDP1 (0.50) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL8053279 0.86 TSHR (0.58) ALDH1A1TSHRCYP3A4CYP1A2RECQL
SCHEMBL12593915 0.84 TDP1 (0.52) ALDH1A1TSHRCYP3A4CYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724190-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LTD (IN) 2022-07-06 EP disclosed
CN-113302178-A Diamine, polyimide derived therefrom, and molded article thereof 本州化学工业株式会社 2021-08-24 CN disclosed
US-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2021-06-03 US disclosed
WO-2020158523-A1 NOVEL DIAMINE, NOVEL POLYIMIDE DERIVED THEREFROM, AND MOLDED BODY THEREOF 本州化学工業株式会社 2020-08-06 WO disclosed
WO-2019116302-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2019-06-20 WO disclosed
US-9499555-B2 Porous crystalline frameworks, process for the preparation therof and their mechanical delamination to covalent organic nanosheets (CONS) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-22 US disclosed
US-9387202-B2 Pyridone amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2016-07-12 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150297738-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2015-10-22 US disclosed
US-20150148380-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC 2015-05-28 US disclosed
US-20090047251-A1 Conjugates of hydroxyalkyl starch and a protein FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2009-02-19 US disclosed
WO-2008155033-A1 SUBSTITUTED (OXAZOLIDINON-5-YL-METHYL) -2-THIOPHENE-CARBOXAMIDES AND USE THEREOF IN THE FIELD OF BLOOD COAGULATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155032-A1 SUBSTITUTED (OXAZOLIDINON-5-YL-METHYL) -2-THIOPHENE-CARBOXAMIDES AND USE THEREOF IN THE FIELD OF BLOOD COAGULATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
WO-2008155069-A2 SUBSTITUTED OXAZOLIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20080274948-A1 Conjugates of Hydroxyalkyl Starch and G-Csf FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2008-11-06 US disclosed
US-20080207562-A1 Conjugates of Hydroxyalkyl Starch and Active Substance, Prepared by Chemical Ligation Via Thiazolidine FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2008-08-28 US disclosed
US-20080206182-A1 Conjugates of a Polymer and a Protein Linked by an Oxime Group FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2008-08-28 US disclosed
US-20070134197-A1 Conjugates of hydroxyalkyl starch and a protein, prepared by reductive amination FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2007-06-14 US disclosed
CN-1053666-C Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-06-21 CN disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN 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 (8 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-20080274948-A1 Conjugates of Hydroxyalkyl Starch and G-Csf CSF3R, CCL11, CSF1R ALDH1A1 2536/4885TSHR 3999/4885CYP3A4 3658/4885
US-20150148380-A1 PYRIDONE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES MKI67, TYMP, CCNA1 ALDH1A1 250/4885TSHR 2946/4885CYP3A4 2008/4885
US-20080206182-A1 Conjugates of a Polymer and a Protein Linked by an Oxime Group LPO, DAO, DNPEP ALDH1A1 1565/4885TSHR 2741/4885CYP3A4 704/4885
US-20210163486-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ALDH1A1 2553/4885TSHR 3684/4885CYP3A4 1372/4885
US-20090047251-A1 Conjugates of hydroxyalkyl starch and a protein CHLSN, STT3A, PA2G4 ALDH1A1 3779/4885TSHR 4134/4885CYP3A4 3793/4885
US-20070134197-A1 Conjugates of hydroxyalkyl starch and a protein, prepared by reductive amination DERA, HBG1, HACL2 ALDH1A1 478/4885TSHR 4559/4885CYP3A4 724/4885
US-20080207562-A1 Conjugates of Hydroxyalkyl Starch and Active Substance, Prepared by Chemical Ligation Via Thiazolidine HACL2, AGL, TTL ALDH1A1 312/4885TSHR 796/4885CYP3A4 343/4885
US-20150297738-A1 CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION HASPIN, HACL2, PCNA ALDH1A1 1139/4885TSHR 4392/4885CYP3A4 1227/4885

“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.