SCHEMBL12934485

SCHEMBL12934485

CCOC(=O)/C=C(\Nc1ccc(Br)c(C)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL1070868 0.87 GRM4 (0.48) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL1070870 0.87 GRM4 (0.48) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL1273535 0.87 GRM4 (0.48) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL2549625 0.83 GAA (0.51) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL9298448 0.83 GAA (0.51) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL3858960 0.83 GAA (0.51) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL28551944 0.81 MAPT (0.55) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL28561885 0.80 CYP19A1 (0.54) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL9390312 0.80 NPC1 (0.53) RAB9AKMT2AMAPTMEN1NPC1
SCHEMBL9390308 0.80 NPC1 (0.53) RAB9AKMT2AMAPTMEN1NPC1

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 — — 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 RAB9A 692/4885KMT2A 2619/4885ALDH1A1 1039/4885

“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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