SCHEMBL640541

SCHEMBL640541

NC(=O)C(Oc1ccccc1)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
MTOR P42345 1/20 0.38
ADK P55263 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 3/20 0.36
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL2835873 0.88 ADRA2A (0.46) CSNK1A1TYRO3DYRK1BADRA2AADRA2B
SCHEMBL11551445 0.82 ADRA2A (0.44) CSNK1A1TYRO3DYRK1BADRA2AADRA2B
SCHEMBL643746 0.74 IDO1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL11426972 0.74 ELANE (0.39) ADRA2AADRA2BADRA2CALDH1A1FPR2
SCHEMBL5795856 0.74 CSNK1A1 (0.49) CSNK1A1TYRO3DYRK1BADRA2AADRA2B
SCHEMBL10370479 0.73 KDM4E (0.50) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL3421581 0.73 CHRM1 (0.35) ALDH1A1ADORA3ADORA2AADORA1PPARG
SCHEMBL1258979 0.72 CHRM1 (0.51) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6304961 0.71 PARP10 (0.48) CSNK1A1TYRO3DYRK1BPPARGPPARA
SCHEMBL7470027 0.71 NPC1 (0.42) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 CSNK1A1 684/4885TYRO3 1216/4885DYRK1B 1705/4885

“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.