SCHEMBL641850

SCHEMBL641850

NC(Cc1ccccc1Cl)=NO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CTBP2 P56545 1/20 0.56
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
PNMT P11086 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
IDO1 P14902 5/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
MAPK8 P45983 1/20 0.41
MAP3K14 Q99558 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL641849 1.00 PKM (0.60) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL12246427 0.86 PNMT (0.55) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL838229 0.86 PNMT (0.55) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL875533 0.82 LMNA (0.46) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL10391422 0.82 LMNA (0.46) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL835823 0.82 LMNA (0.46) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL10391424 0.82 LMNA (0.46) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL2540578 0.81 HTR3E (0.56) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL837828 0.78 ADRA2A (0.55) PKMLMNASMN1; SMN2CTBP2HTR3E
SCHEMBL2644247 0.77 L3MBTL1 (0.56) LMNAIDO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-6930118-B2 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2005-08-16 US disclosed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 US 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 (10 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-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives CNR1, CNR2, OPRK1 PKM 3405/4885LMNA 3853/4885SMN1; SMN2 4081/4885
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 PKM 803/4885LMNA 612/4885SMN1; SMN2 2876/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 PKM 1270/4885LMNA 217/4885SMN1; SMN2 3347/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 PKM 2527/4885LMNA 2585/4885SMN1; SMN2 3486/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 PKM 803/4885LMNA 612/4885SMN1; SMN2 2876/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 PKM 2285/4885LMNA 1600/4885SMN1; SMN2 740/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 PKM 2527/4885LMNA 2585/4885SMN1; SMN2 3486/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH PKM 2717/4885LMNA 1864/4885SMN1; SMN2 782/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 PKM 2329/4885LMNA 1625/4885SMN1; SMN2 761/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 PKM 1270/4885LMNA 217/4885SMN1; SMN2 3347/4885

“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.