SCHEMBL5211765

SCHEMBL5211765

CN(Cc1ccccc1)C(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.41
CXCR3 P49682 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AGTR1 P30556 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5207866 0.86 GABRA1 (0.35) ALDH1A1KMT2AKDM4EAGTR1GABRA1
SCHEMBL5213384 0.86 RXRA (0.47) ALDH1A1PKMKMT2AKDM4E
SCHEMBL14609752 0.85 TSPO (0.37) ALDH1A1KMT2AKDM4E
SCHEMBL5215764 0.83 NPC1 (0.48) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL5211701 0.83 MKNK1 (0.42) ALDH1A1KMT2AMAPK1
SCHEMBL5212575 0.83 ENPP2 (0.49) ALDH1A1KMT2A
SCHEMBL5209936 0.83 LMNA (0.50) ALDH1A1PKMKMT2ARAB9AMAPK1
SCHEMBL5212489 0.82 RXRA (0.43) KMT2A
SCHEMBL5212748 0.81 LMNA (0.51) KMT2A
SCHEMBL5213449 0.81 RXRA (0.43) KMT2A

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 ALDH1A1 1651/4885PKM 3693/4885KMT2A 680/4885

“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.