SCHEMBL3104607

SCHEMBL3104607

CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2COc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.43
SLC6A5 Q9Y345 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
ATF4 P18848 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DGAT1 O75907 1/20 0.40
HSD11B1 P28845 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
ST14 Q9Y5Y6 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
SCHEMBL3099701 0.92 GABRA5 (0.39) TP53LMNANPC1SLC6A5RXFP1
SCHEMBL3114477 0.92 PDE5A (0.44) TP53LMNANPC1RXFP1SMN1; SMN2
SCHEMBL3100891 0.91 GABRA5 (0.47) LMNASLC6A5RXFP1SMN1; SMN2KDM4E
SCHEMBL3116630 0.91 NPC1 (0.42) TP53LMNANPC1SLC6A5RXFP1
SCHEMBL3114379 0.91 RXFP1 (0.44) TP53NPC1SLC6A5RXFP1SMN1; SMN2
SCHEMBL3111475 0.90 SLC6A5 (0.45) LMNASLC6A5RXFP1KDM4EALDH1A1
SCHEMBL3107846 0.90 ALDH1A1 (0.40) TP53LMNASLC6A5RXFP1DGAT1
SCHEMBL3112397 0.90 SLC6A5 (0.46) LMNANPC1SLC6A5RXFP1SMN1; SMN2
SCHEMBL3117311 0.89 SLC6A5 (0.52) SLC6A5RXFP1DGAT1
SCHEMBL3117490 0.89 GABRA5 (0.42) SLC6A5RXFP1

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 TP53 2716/4885LMNA 2020/4885NPC1 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.