SCHEMBL14817831

SCHEMBL14817831

CCCCN(C)c1ccc2c3c(cccc13)C(=O)N(CCSSCCN1C(=O)c3cccc4c(N(C)CCCC)ccc(c34)C1=O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.49
▸ KMT2A Q03164 10/20 0.49
▸ USP2 O75604 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ HBB P68871 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ NCOR2 Q9Y618 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ BRCA1 P38398 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ POLB P06746 5/20 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
SCHEMBL15624301 0.91 MEN1 (0.58) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL18774396 0.88 HDAC1 (0.49) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL10104268 0.88 HDAC3 (0.49) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL13207594 0.84 HDAC3 (0.51) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL13963789 0.84 MEN1 (0.51) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL17733978 0.84 MEN1 (0.51) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL19649098 0.82 HDAC1 (0.47) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL24270352 0.81 MEN1 (0.47) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL18774280 0.81 MEN1 (0.47) MEN1KMT2AUSP2MAPTALDH1A1
SCHEMBL11490618 0.80 MEN1 (0.59) MEN1KMT2AUSP2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2013-03-28 — — 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-20130074276-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 MEN1 3694/4885KMT2A 1186/4885USP2 1400/4885

“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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