SCHEMBL17327500

SCHEMBL17327500

CN(CC(N)C(=O)O)C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNCl)c4cnccc4n3)cc2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PRSS12 P56730 1/20 0.33
▸ ACACB O00763 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIN1 Q13671 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL15919298 0.94 TACR3 (0.36) TACR3TP53ACACBMAPTCYP3A4
Hydrochloric Acid SCHEMBL17313841 0.93 TACR3 (0.35) TACR3TP53ACACBMAPTCYP3A4
SCHEMBL15919724 0.91 ESR1 (0.33) TACR3TP53ACACBMAPTDHODH
SCHEMBL17327547 0.87 POLB (0.33) MEN1POLBKMT2AMAPTKDM4E
SCHEMBL15919729 0.82 ACACB (0.35) TACR3TP53ACACBMEN1POLB
SCHEMBL15919536 0.81 TP53 (0.38) TP53ACACBMEN1KMT2ACYP3A4
SCHEMBL15919652 0.80 LMNA (0.36) TP53MEN1POLBKMT2AMAPT
SCHEMBL15919294 0.80 MAPT (0.34) TACR3TP53PRSS12POLBMAPT
SCHEMBL15905087 0.80 LATS1 (0.34) TACR3TP53MEN1KMT2AMAPT
SCHEMBL17323691 0.80 ACACB (0.35) TACR3TP53ACACBMEN1KMT2A

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 2 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US 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 2024/4885TP53 2109/4885PRSS12 524/4885

“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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