SCHEMBL10127537

SCHEMBL10127537

COC(=O)N(Cc1ccc(CO)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ ATM Q13315 2/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38

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
SCHEMBL10112093 0.85 MEN1 (0.45) KMT2AMEN1HDAC8HDAC6HDAC1
SCHEMBL13434071 0.85 KMT2A (0.70) KMT2AMEN1ATMPSEN1PSEN2
SCHEMBL19750799 0.84 ALDH1A1 (0.56) KMT2AMEN1HDAC8HDAC6ATM
SCHEMBL13227060 0.84 KMT2A (0.51) KMT2AMEN1HDAC8HDAC6HDAC1
SCHEMBL15095805 0.77 ALDH1A1 (0.46) KMT2AMEN1HDAC6HDAC1KDM4E
SCHEMBL13227044 0.73 MEP1B (0.50) KMT2AMEN1ATMSMN1; SMN2
SCHEMBL3111759 0.72 LOXL2 (0.45) KMT2AMEN1HDAC8HDAC6HDAC1
SCHEMBL23717182 0.71 KMT2A (0.55) KMT2AMEN1HDAC6HDAC1ATM
SCHEMBL14599045 0.70 PSEN1 (0.51) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL13825505 0.70 MEN1 (0.43) KMT2AMEN1HDAC1LMNAL3MBTL1

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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 — — 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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 KMT2A 3386/4885MEN1 4777/4885HDAC8 1741/4885

“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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