SCHEMBL3109644

SCHEMBL3109644

CCNC(=O)c1ccc(OCCCc2ccccc2)c(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.56
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3116968 0.93 BRD4 (0.54) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3112409 0.93 BRD4 (0.54) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3113705 0.91 BRD4 (0.53) BRD4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL3115990 0.89 BRD4 (0.51) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3116006 0.85 BRD4 (0.52) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3102752 0.85 BRD4 (0.52) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3110741 0.84 BRD4 (0.51) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3104226 0.83 BRD4 (0.50) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3107524 0.83 BRD4 (0.49) BRD4MAPTNPC1RAB9AKDM4E
SCHEMBL3118064 0.82 BRD4 (0.49) BRD4MAPTNPC1RAB9AKDM4E

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 BRD4 700/4885MAPT 4724/4885NPC1 2145/4885

“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.