SCHEMBL15919422

SCHEMBL15919422

NCC(NC(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 9/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ CYP2C9 P11712 2/20 0.38
▸ RPS6KA5 O75582 2/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ NEK4 P51957 2/20 0.37
▸ PRKCD Q05655 2/20 0.37
▸ PRKG2 Q13237 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ PRKG1 Q13976 2/20 0.37
▸ PKN2 Q16513 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
Hydrochloric Acid SCHEMBL17313746 0.99 TACR3 (0.42) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15904955 0.94 ALDH1A1 (0.41) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15905406 0.93 ALDH1A1 (0.41) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15919401 0.92 TACR3 (0.38) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15905400 0.92 ALDH1A1 (0.44) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15905426 0.91 CA2 (0.42) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15905150 0.91 FOLR2 (0.42) —
SCHEMBL15919400 0.91 TACR3 (0.38) TACR3ALDH1A1GAAMAPTLMNA
SCHEMBL15905543 0.91 TACR3 (0.48) TACR3ROCK2
SCHEMBL15905525 0.89 MAPT (0.42) TACR3ALDH1A1GAAMAPTLMNA

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 9 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 claimed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US claimed
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-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
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 TACR3 2024/4885ALDH1A1 289/4885GAA 6/4885

“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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