SCHEMBL15919643

SCHEMBL15919643

NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)NC(Cc4c[nH]cn4)C(=O)O)cc3Cl)cc2)nc2ccncc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ P4HB P07237 1/20 0.33
▸ GPR132 Q9UNW8 4/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ HTT P42858 3/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TACR3 P29371 4/20 0.31
▸ PIN1 Q13526 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15919405 0.94 TACR3 (0.40) ALDH1A1LMNAGAAKDM4EHTT
SCHEMBL15919644 0.93 ALDH1A1 (0.36) CA1CA2ALDH1A1LMNAGAA
SCHEMBL15919662 0.93 ALDH1A1 (0.32) CA1CA2ALDH1A1LMNAGAA
SCHEMBL18896332 0.90 CA1 (0.34) CA1CA2ITGB2ICAM1ITGAL
SCHEMBL15919401 0.88 TACR3 (0.38) ALDH1A1LMNAGAAMAPTP4HB
SCHEMBL15919406 0.87 TACR3 (0.43) CA1CA2GPR132TACR3
SCHEMBL15919399 0.86 TACR3 (0.39) ALDH1A1LMNAGAAKDM4EHTT
SCHEMBL15919645 0.86 TACR3 (0.44) ALDH1A1LMNAGAAMAPTKDM4E
SCHEMBL18897040 0.83 — —
SCHEMBL18897094 0.83 GPR132 (0.34) CA1CA2GPR132

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 — — WO 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CA1 356/4885CA2 209/4885ITGB2 3852/4885

“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.

Send feedback