SCHEMBL3113705

SCHEMBL3113705

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.53
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 5/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
GLA P06280 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 2/20 0.39
MIF P14174 1/20 0.38
IDE P14735 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3110741 0.93 BRD4 (0.51) BRD4ALDH1A1LMNAHPGDCYP2D6
SCHEMBL3109644 0.91 BRD4 (0.56) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3116968 0.90 BRD4 (0.54) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3115990 0.86 BRD4 (0.51) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3112409 0.84 BRD4 (0.54) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3116006 0.82 BRD4 (0.52) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3102752 0.82 BRD4 (0.52) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3104226 0.80 BRD4 (0.50) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3107524 0.80 BRD4 (0.49) BRD4ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL3111738 0.80 LMNA (0.41) BRD4ALDH1A1LMNAHPGDKDM4E

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 700/4885ALDH1A1 3580/4885LMNA 2020/4885

“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.