SCHEMBL5211468

SCHEMBL5211468

O=C(CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
MCHR1 Q99705 2/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.38
IDO1 P14902 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TNKS O95271 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
SCHEMBL5211421 0.91 TNKS (0.42) ALDH1A1MAPTTNKS
SCHEMBL5215192 0.88 PIN1 (0.43) MAPTTNKS
SCHEMBL5208205 0.86 TP53 (0.42) ALDH1A1TP53MAPTSMN1; SMN2TNKS
SCHEMBL5208822 0.86 MCHR1 (0.55) MCHR1ATMALDH1A1CHRM1HTR2A
SCHEMBL5207954 0.85 RAB9A (0.42) ALDH1A1TP53MAPTNPC1TNKS
SCHEMBL5210803 0.84 AURKA (0.43) ALDH1A1TP53MAPTSMN1; SMN2HPGD
SCHEMBL5212587 0.84 THRB (0.50) ALDH1A1TP53MAPTSMN1; SMN2HPGD
SCHEMBL5210100 0.84 PTGDR2 (0.40) MCHR1ALDH1A1CHRM1HTR2AMAPT
SCHEMBL5211745 0.84 MAPT (0.41) ALDH1A1TP53MAPTSMN1; SMN2NPC1
SCHEMBL5211475 0.84 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2HPGDTNKS

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 NR1H4 150/4885MCHR1 1777/4885ATM 3234/4885

“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.