SCHEMBL13429705

SCHEMBL13429705

N#CCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCC#N)c5)cc4c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MMP3 P08254 2/20 0.42
▸ LIPG Q9Y5X9 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ LIMK1 P53667 2/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 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
SCHEMBL13400053 0.90 MEN1 (0.45) MEN1KMT2AMMP3LIPGMAP4K4
SCHEMBL10198621 0.80 HTR7 (0.47) MAP4K4
SCHEMBL8904029 0.79 MEN1 (0.70) MEN1KMT2AMMP3LIPGCTSS
SCHEMBL11383993 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL21591 0.77 HTR7 (0.39) MAP4K4LIMK1
SCHEMBL8337927 0.76 MEN1 (0.61) MEN1KMT2AMMP3CTSSCTSK
SCHEMBL10198629 0.76 TAAR1 (0.44) ALDH1A1LIMK1
SCHEMBL31083635 0.76 PRKCI (0.51) MAP4K4CHEK1ACMSDLIMK1
SCHEMBL31377009 0.72 MEN1 (0.59) MEN1KMT2AMMP3JAK3CTSS
SCHEMBL31377038 0.72 MEN1 (0.59) MEN1KMT2AMMP3JAK3CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 — — US disclosed
US-8796275-B2 Anti-malarial compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-05 — — US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 — — 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 (2 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-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 MEN1 4052/4885KMT2A 476/4885MMP3 1413/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 MEN1 4052/4885KMT2A 476/4885MMP3 1413/4885

“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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