SCHEMBL17736155

SCHEMBL17736155

COc1ccc(-c2onc(C)c2C(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR2 P34972 3/20 0.46
▸ BCHE P06276 2/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ ADCY1 Q08828 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 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
SCHEMBL4340596 0.81 ALDH1A1 (0.55) MEN1KMT2ANPC1BACE1KDM4E
SCHEMBL13615432 0.80 LMNA (0.57) MEN1KMT2ANPC1CNR2KDM4E
SCHEMBL17736161 0.80 ALDH1A1 (0.56) MEN1KMT2ANPC1L3MBTL1BACE1
SCHEMBL17736156 0.80 GPBAR1 (0.57) MEN1KMT2ABACE1KDM4ELMNA
SCHEMBL4332210 0.78 CYP1A2 (0.47) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL31526118 0.76 POLB (0.61) MEN1KMT2ANPC1L3MBTL1BACE1
SCHEMBL5730307 0.75 MEN1 (0.49) MEN1KMT2ANPC1L3MBTL1KDM4E
SCHEMBL5729425 0.75 MEN1 (0.49) MEN1KMT2ANPC1L3MBTL1KDM4E
SCHEMBL21605339 0.75 LMNA (0.66) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL1813422 0.75 LMNA (0.66) MEN1KMT2ANPC1KDM4ELMNA

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-9540361-B2 N-substituted azetidine derivatives MERCK SHARP & DOHME B.V. (NL) 2017-01-10 — — US disclosed
US-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2016-05-12 — — 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-20160130262-A1 N-SUBSTITUTED AZETIDINE DERIVATIVES ESR2, ESR1, GPER1 MEN1 1013/4885KMT2A 1034/4885NPC1 1783/4885

“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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