SCHEMBL3113646

SCHEMBL3113646

CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
RECQL P46063 1/20 0.49
BRD4 O60885 5/20 0.47
PPARG P37231 2/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PTGS2 P35354 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 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
SCHEMBL3109619 0.90 HPGD (0.48) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3100909 0.88 ALDH1A1 (0.47) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3107237 0.87 ALDH1A1 (0.46) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3105073 0.87 BRD4 (0.44) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3115976 0.86 CYP1A2 (0.47) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3108747 0.85 ALDH1A1 (0.44) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3103016 0.85 CYP1A2 (0.45) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3102732 0.85 CYP1A2 (0.49) HPGDCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL3104158 0.84 HPGD (0.48) HPGDALDH1A1RECQLPPARGRAB9A
SCHEMBL3108940 0.84 RAB9A (0.54) TP53RAB9ASMN1; SMN2NPC1GAA

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 HPGD 800/4885CYP1A2 418/4885CYP2C19 334/4885

“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.