SCHEMBL1784763

SCHEMBL1784763

C#CCn1cc(C=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ POLB P06746 3/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ HTT P42858 5/20 0.55
▸ LMNA P02545 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ IMPDH2 P12268 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ GAA P10253 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29277385 0.84 POLB (0.60) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2187571 0.78 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL27608925 0.78 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL30512327 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2189025 0.78 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL379309 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL323912 0.77 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL30718496 0.77 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14519061 0.77 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL8263758 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535386-B Cyanoethylene sulfonyl anilide compound and preparation method and medical application thereof 西南大学 2025-05-27 — — CN disclosed
CN-116535386-A Cyanoethylene sulfonyl anilide compound and preparation method and medical application thereof 西南大学 2023-08-04 — — CN disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 — — US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 — — US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 — — EP disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 — — EP disclosed
WO-2010013595-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE 萬有製薬株式会社 (JP) 2010-02-04 — — WO disclosed
WO-2006069096-A1 SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2006-06-29 — — 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 ALDH1A1 1615/4885KMT2A 1001/4885MEN1 304/4885

“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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