SCHEMBL15946994

SCHEMBL15946994

CC(=O)c1sc(=S)[nH]c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
RXFP1 Q9HBX9 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
PLA2G10 O15496 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL15946993 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKDM4ERXFP1KMT2A
SCHEMBL15946995 0.79 MC4R (0.60) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL15946988 0.73 MAPT (0.42) SMN1; SMN2MAPTKDM4ERXFP1LMNA
SCHEMBL5562633 0.69 ALDH1A1 (0.41) SMN1; SMN2MAPTKDM4EKMT2ANPSR1
SCHEMBL6487558 0.67 KDM4E (0.63) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL6180244 0.67 KDM4E (0.45) SMN1; SMN2MAPTKDM4EKMT2AHSD17B10
SCHEMBL15946987 0.66 ALDH1A1 (0.41) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL2506707 0.64 LMNA (0.49) SMN1; SMN2MAPTKDM4ERXFP1LMNA
SCHEMBL19669131 0.64 GRM6 (0.54) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL15946980 0.63 KDM4E (0.61) SMN1; SMN2MAPTKDM4EKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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 (2 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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 SMN1; SMN2 3035/4885MAPT 2839/4885KDM4E 941/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 SMN1; SMN2 3035/4885MAPT 2839/4885KDM4E 941/4885

“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.