SCHEMBL20417313

SCHEMBL20417313

CC(C)c1ccc(C(=O)N2CCN(OI)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ LMNA P02545 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ POLB P06746 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MGLL Q99685 3/20 0.44
▸ FAAH O00519 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL10495198 0.87 ALDH1A1 (0.89) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL25442220 0.86 ALDH1A1 (0.71) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL19390999 0.83 CA12 (0.58) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL19413181 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL104400 0.81 KMT2A (0.78) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL12089434 0.81 ALDH1A1 (0.78) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL10169258 0.80 ALDH1A1 (0.96) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL1104737 0.80 ALDH1A1 (0.90) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL26078951 0.80 ALDH1A1 (0.76) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL23709723 0.80 ALDH1A1 (0.76) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2

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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 — — 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-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 ALDH1A1 594/4885KMT2A 1556/4885LMNA 2821/4885

“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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