SCHEMBL1938534

SCHEMBL1938534

Cc1cc(=O)[nH]c(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC11A2 P49281 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALPL P05186 1/20 0.42
RAB9A P51151 2/20 0.41
HPGD P15428 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
SCHEMBL6121205 0.82 USP2 (0.54) SMN1; SMN2NPC1GAAHTTMAPT
SCHEMBL18701517 0.79 RAB9A (0.50) SMN1; SMN2HDAC5L3MBTL1KMT2ARAB9A
SCHEMBL12660894 0.78 CYP3A4 (0.55) LMNAL3MBTL1KMT2ARAB9AMEN1
SCHEMBL21324846 0.78 MEN1 (0.61) SMN1; SMN2MAPTGPR84L3MBTL1KMT2A
SCHEMBL18701579 0.75 LMNA (0.49) SMN1; SMN2GAAMAPTLMNACYP1A2
SCHEMBL18035965 0.73 GPR84 (0.48) MAPTHDAC5LMNAALOX15GPR84
SCHEMBL5935763 0.73
SCHEMBL803563 0.71 PKM (0.54) SMN1; SMN2NPC1GAAHTTMAPT
SCHEMBL12661088 0.71 L3MBTL1 (0.42) SMN1; SMN2GAAMAPTLMNAMAPK1
SCHEMBL11782200 0.70 ALDH1A1 (0.51) SMN1; SMN2HTTMAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 WO disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (9 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S SMN1; SMN2 1483/4885NPC1 168/4885GAA 164/4885
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD SMN1; SMN2 4449/4885NPC1 1603/4885GAA 710/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD SMN1; SMN2 4449/4885NPC1 1603/4885GAA 710/4885
US-20140005232-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PDPK1, MTOR, PIK3C2A SMN1; SMN2 1614/4885NPC1 1206/4885GAA 859/4885
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 SMN1; SMN2 4230/4885NPC1 939/4885GAA 3576/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD SMN1; SMN2 4292/4885NPC1 500/4885GAA 383/4885
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 SMN1; SMN2 3322/4885NPC1 970/4885GAA 3256/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR SMN1; SMN2 2655/4885NPC1 2977/4885GAA 4235/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S SMN1; SMN2 1483/4885NPC1 168/4885GAA 164/4885

“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.