SCHEMBL3099701

SCHEMBL3099701

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ST14 Q9Y5Y6 2/20 0.37
SLC6A5 Q9Y345 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPK14 Q16539 2/20 0.36
ENPP2 Q13822 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3112397 0.92 SLC6A5 (0.46) GABRA5LMNARXFP1SLC6A5CYP1A2
SCHEMBL3104607 0.92 TP53 (0.46) LMNATP53RXFP1ST14SLC6A5
SCHEMBL3099810 0.90 GABRA5 (0.41) GABRA5TP53RXFP1ST14ALDH1A1
SCHEMBL3111475 0.90 SLC6A5 (0.45) GABRA5LMNARXFP1SLC6A5ALDH1A1
SCHEMBL3108727 0.89 GABRA5 (0.44) GABRA5RXFP1ST14SLC6A5ALDH1A1
SCHEMBL3107846 0.89 ALDH1A1 (0.40) GABRA5LMNATP53RXFP1SLC6A5
SCHEMBL3105322 0.89 GABRA5 (0.42) GABRA5RXFP1ST14SLC6A5ALDH1A1
SCHEMBL3114379 0.88 RXFP1 (0.44) TP53RXFP1SLC6A5ALDH1A1CYP1A2
SCHEMBL3117490 0.88 GABRA5 (0.42) GABRA5RXFP1SLC6A5CYP2C9MAPK14
SCHEMBL3114477 0.87 PDE5A (0.44) LMNATP53RXFP1ALDH1A1HPGD

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 8 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
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 GABRA5 755/4885LMNA 2020/4885TP53 2716/4885

“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.