SCHEMBL18545604

SCHEMBL18545604

O=C(O)CCCN1C(=S)S/C(=C/c2ccccn2)C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 10/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MCL1 Q07820 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL12006901 0.75 NPC1 (0.71) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL12008817 0.75 NPC1 (0.71) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL24518366 0.72 FFAR1 (0.43) NPC1RAB9AMAPTKMT2AKDM4E
SCHEMBL12008816 0.70 RAB9A (0.73) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL24518355 0.69 MAPT (0.39) MAPTKMT2AKDM4EMCL1POLB
SCHEMBL18545524 0.68 NCOA3 (0.41) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL18545411 0.67 NCOA3 (0.40) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL12006889 0.65 MAPK1 (0.66) NPC1RAB9AMAPK1MAPTKMT2A
SCHEMBL6244878 0.65 SMN1; SMN2 (0.47) NPC1RAB9AMAPK1KMT2AKDM4E
SCHEMBL6883219 0.65 NPC1 (0.69) NPC1RAB9AMAPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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 (1 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885RAB9A 3367/4885MAPK1 2030/4885

“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.

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