SCHEMBL5208286

SCHEMBL5208286

O=C(CCc1oc(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.63
CHRM1 P11229 5/20 0.63
HTR2A P28223 4/20 0.63
AVPR1B P47901 2/20 0.51
CACNA1G O43497 2/20 0.49
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5211762 0.83 MAPT (0.47) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL5210861 0.83 MAPT (0.50) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL5241709 0.82 MAPT (0.44) MCHR1CHRM1HTR2AAVPR1BNPC1
SCHEMBL5241697 0.82 MAPT (0.44) MCHR1CHRM1HTR2AAVPR1BKDM4E
SCHEMBL5241704 0.82 MAPT (0.44) MCHR1CHRM1HTR2AAVPR1BKDM4E
SCHEMBL5214683 0.82 MEN1 (0.46) KDM4EMAPTNPSR1MAPK1KMT2A
SCHEMBL5208822 0.81 MCHR1 (0.55) MCHR1CHRM1HTR2ACACNA1GATM
SCHEMBL5208465 0.80 MAPT (0.49) GAANPC1RAB9AKDM4EMAPT
SCHEMBL5214838 0.80 KDM4E (0.49) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL5213161 0.79 MAPT (0.49) NPC1RAB9AKDM4EMAPTNPSR1

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.