SCHEMBL5208822

SCHEMBL5208822

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.55
CHRM1 P11229 5/20 0.55
HTR2A P28223 4/20 0.55
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CACNA1G O43497 2/20 0.41
GAA P10253 2/20 0.41
HTR2C P28335 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL5211421 0.91 TNKS (0.42) POLBALDH1A1ACHETHRB
SCHEMBL5215192 0.88 PIN1 (0.43) POLBACHE
SCHEMBL5210100 0.88 PTGDR2 (0.40) MCHR1CHRM1HTR2APOLBALDH1A1
SCHEMBL5208205 0.86 TP53 (0.42) POLBALDH1A1SMN1; SMN2
SCHEMBL5211468 0.86 NR1H4 (0.41) MCHR1CHRM1HTR2AALDH1A1SMN1; SMN2
SCHEMBL5215350 0.86 CNR1 (0.44) MCHR1CHRM1HTR2APOLBALDH1A1
SCHEMBL5211576 0.86 TNKS (0.39) POLBALDH1A1
SCHEMBL5242561 0.85 CHRM1 (0.37) MCHR1CHRM1HTR2APOLBALDH1A1
SCHEMBL5242566 0.85 CHRM1 (0.37) MCHR1CHRM1HTR2APOLBALDH1A1
SCHEMBL5242552 0.85 CHRM1 (0.37) MCHR1CHRM1HTR2APOLBALDH1A1

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 MCHR1 1777/4885CHRM1 1679/4885HTR2A 1986/4885

“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.