SCHEMBL16362039

SCHEMBL16362039

Cc1cc2oc(=O)n(C)c2cc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ PKM P14618 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BRPF1 P55201 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17766385 0.80 KDM4E (0.48) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL1029530 0.77 ATAD2 (0.55) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL18306663 0.76 PKM (0.48) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL16362388 0.75 MAOB (0.40) MAOBNCOA1NCOA3PKMKMT2A
SCHEMBL3045237 0.75 ALDH1A1 (0.53) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL29878389 0.75 ALDH1A1 (0.53) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL30022934 0.75 DDB1 (0.46) PKMKMT2AALDH1A1HPGDBRPF1
SCHEMBL399737 0.75 DDB1 (0.46) PKMKMT2AALDH1A1HPGDBRPF1
SCHEMBL16362385 0.74 CA12 (0.48) PKMALDH1A1POLBCA12CA9
SCHEMBL1027492 0.73 ATAD2 (0.55) PKMKMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 — — US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 — — WO 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-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E MAOB 1263/4885NCOA1 342/4885NCOA3 160/4885

“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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