SCHEMBL12846989

SCHEMBL12846989

Cc1nc2ccc(N(C)c3ccc(S)cc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ IDO2 Q6ZQW0 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL12788546 0.93 ALDH1A1 (0.37) ALDH1A1MAPK1RAB9AKDM4ELMNA
SCHEMBL12788643 0.91 ALDH1A1 (0.37) ALDH1A1MAPK1RAB9AKDM4ELMNA
SCHEMBL12788865 0.89 KDM4C (0.36) ALDH1A1MAPK1RAB9AKDM4ELMNA
SCHEMBL12847300 0.89 GFER (0.38) ALDH1A1MAPK1RAB9AKDM4ELMNA
SCHEMBL12788595 0.89 POLB (0.43) ALDH1A1MAPK1RAB9AKDM4EIDO1
SCHEMBL12788639 0.89 KDM4E (0.42) ALDH1A1KDM4ELMNAHPGDPOLB
SCHEMBL12788621 0.88 KDM4C (0.38) ALDH1A1MAPK1RAB9ALMNAIDO1
SCHEMBL12788806 0.88 POLB (0.42) ALDH1A1MAPK1RAB9AKDM4EIDO1
SCHEMBL12846987 0.88 RAB9A (0.39) ALDH1A1MAPK1RAB9AKDM4ELMNA
SCHEMBL12847379 0.88 POLB (0.42) ALDH1A1MAPK1RAB9AKDM4ELMNA

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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 ALDH1A1 833/4885MAPK1 1023/4885RAB9A 1094/4885

“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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