SCHEMBL3115255

SCHEMBL3115255

CCNC(=O)c1ccc(-n2nnc(C(=O)O)c2-c2cccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CA4 P22748 6/20 0.61
CA9 Q16790 6/20 0.61
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 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
SCHEMBL3495152 0.87 CA9 (0.58) CA1CA2CA4CA9KMT2A
SCHEMBL3116023 0.86 CA1 (0.52) CA1CA2CA4CA9KMT2A
SCHEMBL3107424 0.85 KDM4E (0.57) CA1CA2CA4CA9KMT2A
SCHEMBL13158528 0.78 HTT (0.61) CA1CA2CA4CA9KMT2A
SCHEMBL3115976 0.76 CYP1A2 (0.47) CA1CA2CA9KMT2AMEN1
SCHEMBL3109208 0.75 CYP1A2 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3102732 0.75 CYP1A2 (0.49) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL3113646 0.75 HPGD (0.49) KMT2AMEN1ALDH1A1HPGDCYP1A2
SCHEMBL3109619 0.74 HPGD (0.48) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL3103016 0.73 CYP1A2 (0.45) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 CA1 3371/4885CA2 3067/4885CA4 2566/4885

“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.