SCHEMBL3108441

SCHEMBL3108441

CCCc1c(C(=O)NCc2cccc(F)c2)nnn1-c1ccc(C(=O)NCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
BRD4 O60885 1/20 0.46
MAPT P10636 2/20 0.44
ROCK2 O75116 2/20 0.44
TP53 P04637 1/20 0.44
NAMPT P43490 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL3113720 0.92 CCR1 (0.43) CCR1BRD4MAPTROCK2TP53
SCHEMBL5244366 0.90 CCR1 (0.45) CCR1BRD4MAPTROCK2TP53
SCHEMBL13158526 0.89 CCR1 (0.59) CCR1BRD4MAPTROCK2TP53
SCHEMBL3120079 0.88 CCR1 (0.45) CCR1BRD4MAPTROCK2TP53
SCHEMBL5248728 0.83 ABCB1 (0.47) BRD4MAPTTP53NAMPTGAA
SCHEMBL3120869 0.83 BRD4 (0.43) BRD4MAPTNAMPTALDH1A1LMNA
SCHEMBL3109201 0.83 CCR1 (0.46) CCR1MAPTROCK2TP53NAMPT
SCHEMBL3116355 0.82 BRD4 (0.42) BRD4MAPTNAMPTGAAALDH1A1
SCHEMBL3116264 0.81 MEN1 (0.58) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL5249308 0.81 RIPK1 (0.46) CCR1BRD4MAPTROCK2GAA

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 CCR1 184/4885BRD4 700/4885MAPT 4724/4885

“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.