SCHEMBL5009778

SCHEMBL5009778

CCCNCc1c(Cl)cncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 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
SCHEMBL18814185 0.73 ALDH1A1 (0.34) KDM4EHRH3PDE4DPDE4APDE4B
SCHEMBL10079575 0.72 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL8275364 0.69 ALDH1A1 (0.34) SMN1; SMN2KDM4EPOLBCYP1A2CYP2C19
SCHEMBL11520379 0.68 MEN1 (0.77) SMN1; SMN2MEN1KMT2AKDM4EPOLB
SCHEMBL18899210 0.68 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AKDM4EPOLBHTR1A
SCHEMBL22863860 0.68 TAAR1 (0.44) MEN1KMT2AKDM4EHRH4HRH3
SCHEMBL8396099 0.68 CHRM2 (0.39) SMN1; SMN2MEN1KMT2APOLBHRH4
SCHEMBL5009776 0.67 CYP3A4 (0.50) MEN1KMT2APDE4DPDE4APDE4B
SCHEMBL27735191 0.67 HDAC1 (0.43) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL18939702 0.67 CHRM2 (0.66) MEN1KMT2AHDAC3CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL SMN1; SMN2 4705/4885MEN1 4075/4885KMT2A 4487/4885

“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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