SCHEMBL13153929

SCHEMBL13153929

CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.76
▸ KMT2A Q03164 6/20 0.76
▸ NSD2 O96028 2/20 0.76
▸ BLM P54132 2/20 0.76
▸ POLB P06746 5/20 0.70
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ USP2 O75604 2/20 0.70
▸ PKM P14618 1/20 0.67
▸ THRB P10828 2/20 0.61
▸ MAPT P10636 7/20 0.61
▸ TP53 P04637 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TNNI3 P19429 1/20 0.61
▸ TNNT2 P45379 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ TNNC1 P63316 1/20 0.61
▸ MCOLN3 Q8TDD5 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ CASP3 P42574 1/20 0.59

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
SCHEMBL12881142 0.86 MEN1 (1.00) MEN1KMT2ANSD2BLMPOLB
SCHEMBL5594708 0.86 MEN1 (1.00) MEN1KMT2ANSD2BLMPOLB
SCHEMBL12881130 0.83 MEN1 (0.76) MEN1KMT2ANSD2BLMPOLB
SCHEMBL10476363 0.83 MEN1 (1.00) MEN1KMT2ANSD2BLMPOLB
SCHEMBL12975925 0.80 MEN1 (0.76) MEN1KMT2ANSD2BLMPOLB
SCHEMBL10476384 0.80 THRB (0.79) MEN1KMT2ANSD2BLMPOLB
SCHEMBL12976217 0.79 MEN1 (0.70) MEN1KMT2ANSD2BLMPOLB
SCHEMBL27983608 0.78 MAPT (0.82) MEN1KMT2ANSD2BLMPOLB
SCHEMBL10476383 0.78 KMT2A (0.73) MEN1KMT2ANSD2BLMPOLB
SCHEMBL10476385 0.78 KMT2A (0.73) MEN1KMT2ANSD2BLMPOLB

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-7799096-B2 Agent for dyeing keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2010-09-21 — — US disclosed
US-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS HENKEL AG & CO. KGAA (DE) 2010-03-18 — — 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-20100064450-A1 AGENT FOR DYEING KERATIN-CONTAINING FIBERS KRT18, CRYAA, CKAP4 MEN1 4362/4885KMT2A 1270/4885NSD2 1384/4885

“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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