SCHEMBL3112318

SCHEMBL3112318

CCNC(=O)c1ccc(-n2nnc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OC)c2CSC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ ATM Q13315 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TACR3 P29371 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
SCHEMBL3112309 1.00 GAA (0.50) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3109368 0.93 ALDH1A1 (0.43) GAARAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL3109364 0.93 ALDH1A1 (0.43) GAARAB9AALDH1A1CYP2C9CYP2C19
SCHEMBL5244694 0.83 HPGD (0.48) RAB9AALDH1A1LMNACYP2C9CYP2C19
SCHEMBL3117082 0.82 NAMPT (0.41) RAB9AALDH1A1LMNAATMCYP2C9
SCHEMBL5246648 0.80 NAMPT (0.39) ALDH1A1POLBCYP2C9CYP2C19CYP1A2
SCHEMBL5245992 0.79 SMN1; SMN2 (0.52) RAB9AALDH1A1LMNACYP2C9CYP2C19
SCHEMBL3112551 0.79 XDH (0.45) GAARAB9AALDH1A1POLBCYP2C9
SCHEMBL3112834 0.77 HPGD (0.43) RAB9AALDH1A1LMNAPOLBCYP2C9
SCHEMBL5248724 0.77 PRKACA (0.50) GAAALDH1A1LMNAPOLBCYP2C9

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 GAA 4817/4885RAB9A 2959/4885ALDH1A1 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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