SCHEMBL10192543

SCHEMBL10192543

CO/N=C1\CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 9/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CES1 P23141 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL788630 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL11886413 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL17190976 0.89 L3MBTL1 (0.59) SMN1; SMN2MAPTALDH1A1L3MBTL1HPGD
SCHEMBL17190983 0.89 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1HPGDHTT
SCHEMBL13167840 0.89 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1HPGDHTT
SCHEMBL8950340 0.83 L3MBTL1 (0.47) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL22420907 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL15449619 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL13130682 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL14692225 0.79 CD44 (0.47) ALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388197-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-07-12 US disclosed
US-20150361096-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2015-12-17 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
WO-2014115072-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-07-31 WO disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8563732-B2 Oxyimino compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2013-10-22 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2010-09-23 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 (7 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-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 SMN1; SMN2 2633/4885MAPT 248/4885ALDH1A1 829/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 SMN1; SMN2 2633/4885MAPT 248/4885ALDH1A1 829/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A SMN1; SMN2 1858/4885MAPT 679/4885ALDH1A1 2796/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 SMN1; SMN2 1157/4885MAPT 26/4885ALDH1A1 2082/4885
US-20100240703-A1 OXYIMINO COMPOUNDS AND THE USE THEREOF CACNA1A, CACNA1S, OPRM1 SMN1; SMN2 476/4885MAPT 3109/4885ALDH1A1 886/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 SMN1; SMN2 2578/4885MAPT 699/4885ALDH1A1 2121/4885
US-20150361096-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 SMN1; SMN2 4453/4885MAPT 3932/4885ALDH1A1 2363/4885

“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.