SCHEMBL3107524

SCHEMBL3107524

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
HPGD P15428 4/20 0.41
CYP2C19 P33261 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CNR2 P34972 2/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL5246108 0.93 BRD4 (0.47) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3104226 0.92 BRD4 (0.50) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3116006 0.90 BRD4 (0.52) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3112409 0.90 BRD4 (0.54) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3116976 0.89 BRD4 (0.49) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3102752 0.88 BRD4 (0.52) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3118064 0.88 BRD4 (0.49) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL5248477 0.87 BRD4 (0.47) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL3110741 0.86 BRD4 (0.51) BRD4RAB9ANPC1ALDH1A1CYP2D6
SCHEMBL5244069 0.85 BRD4 (0.43) BRD4RAB9ANPC1HPGDSMN1; SMN2

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 7 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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
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
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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 700/4885RAB9A 2959/4885NPC1 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.