SCHEMBL3117082

SCHEMBL3117082

CCNC(=O)c1ccc(-n2nnc(C(=O)NC(=O)C(N)Cc3ccccc3)c2CSC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.41
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TPH1 P17752 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL3109368 0.85 ALDH1A1 (0.43) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3109364 0.85 ALDH1A1 (0.43) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5244694 0.84 HPGD (0.48) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3108947 0.82 HPGD (0.35) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3112318 0.82 GAA (0.50) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3112309 0.82 GAA (0.50) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5245992 0.80 SMN1; SMN2 (0.52) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3115151 0.80 BRD4 (0.37) NAMPTHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL3114145 0.79 CYP1A2 (0.42) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3112834 0.78 HPGD (0.43) HPGDALDH1A1CYP1A2CYP2C9CYP2C19

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 NAMPT 1494/4885HPGD 800/4885ALDH1A1 3580/4885

“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.

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