SCHEMBL103312

SCHEMBL103312

[CH]1NCCc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
KDM4E B2RXH2 3/20 0.50
HTR5A P47898 2/20 0.50
NISCH Q9Y2I1 2/20 0.50
NR2E1 Q9Y466 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GPR3 P46089 1/20 0.46
HTR7 P34969 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPKAPK2 P49137 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
SCHEMBL224482 0.89 MEN1 (0.47) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL1919190 0.73 HTR2A (0.46) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL428079 0.70 HSD17B10 (0.50) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL2307927 0.70 HTR2A (0.43) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL1456916 0.70 HTR2A (0.51) HTR2AHTR2CKDM4EHTR5ANISCH
Carbazole SCHEMBL28173066 0.70 ALDH1A1 (0.93) KDM4EMEN1KMT2ACYP1A2HPGD
Carbazole SCHEMBL870061 0.70 ALDH1A1 (0.93) KDM4EMEN1KMT2ACYP1A2HPGD
SCHEMBL678673 0.69 HTR2C (0.54) HTR2AHTR2CKDM4EHTR5ANISCH
SCHEMBL296017 0.68 HSD17B10 (0.48) HTR2AHTR2CKDM4EHTR5ANISCH
Carbazole SCHEMBL28297616 0.68 ALDH1A1 (0.78) HTR2AHTR2CKDM4EHTR5ANISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2020-08-18 US claimed
US-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2019-05-23 US claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US claimed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
EP-1890695-B1 USE OF 2,5-DISUBSTITUTED THIAZOL-4-ONE DERIVATIVES IN DRUGS GRUENENTHAL GMBH (DE) 2013-02-20 EP claimed
EP-1542993-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE MERCK SERONO SA (CH) 2012-12-19 EP claimed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO claimed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO claimed
EP-1758884-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US claimed
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2006-02-16 US claimed
WO-2005113542-A2 N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2005-12-01 WO claimed
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP claimed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 US claimed
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 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 (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-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES ABCC1, ABCB1, ABCC8 HTR2A 1416/4885HTR2C 858/4885KDM4E 1370/4885
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives ABCC1, ABCB1, ABCC8 HTR2A 1416/4885HTR2C 858/4885KDM4E 1370/4885
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HTR2A 4824/4885HTR2C 4845/4885KDM4E 4305/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 HTR2A 25/4885HTR2C 10/4885KDM4E 986/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 HTR2A 37/4885HTR2C 25/4885KDM4E 2973/4885
US-20060035884-A1 N-cyclic sulfonamido inhibitors of gamma secretase BACE1, BACE2, APH1B HTR2A 2273/4885HTR2C 1803/4885KDM4E 2448/4885

“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.