SCHEMBL7795327

SCHEMBL7795327

CC(=O)Cc1csc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
PKM P14618 1/20 0.44

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
SCHEMBL856450 0.84 GABRA5 (0.61) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL10974541 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL5544014 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL12883290 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL14445035 0.80 GABRA5 (0.43) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL12158564 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL9709994 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL16770015 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL12868364 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1POLB
SCHEMBL11926737 0.78 HSD17B10 (0.70) SMN1; SMN2NPC1RAB9AMAPTGAA

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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9156837-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20100144699-A1 Combination Medicaments for Treating Bacterial Infections BASILEA PHARMACEUTICA AG 2010-06-10 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (11 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 SMN1; SMN2 4550/4885NPC1 1299/4885RAB9A 2111/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20100144699-A1 Combination Medicaments for Treating Bacterial Infections MB, MGAM, ZYX SMN1; SMN2 3424/4885NPC1 1666/4885RAB9A 3533/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 SMN1; SMN2 2946/4885NPC1 48/4885RAB9A 1216/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885NPC1 65/4885RAB9A 2463/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 SMN1; SMN2 479/4885NPC1 1972/4885RAB9A 2715/4885

“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.