SCHEMBL12850582

SCHEMBL12850582

O=C(O)/C=C\C(=O)Nc1ccc(F)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ MAPT P10636 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ EGFR P00533 1/20 0.51
▸ LPAR2 Q9HBW0 2/20 0.49
▸ LPAR3 Q9UBY5 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LPAR1 Q92633 1/20 0.47
▸ TDP2 O95551 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL15409795 1.00 ALDH1A1 (0.74) ALDH1A1CYP2C19MAPTGAASMN1; SMN2
SCHEMBL6895432 0.85 ALDH1A1 (1.00) ALDH1A1CYP2C19MAPTGAASMN1; SMN2
SCHEMBL6895438 0.85 ALDH1A1 (1.00) ALDH1A1CYP2C19MAPTGAASMN1; SMN2
SCHEMBL2167855 0.82 EGFR (0.77) MAPTGAAEGFR
SCHEMBL2167856 0.82 EGFR (0.77) MAPTGAAEGFR
SCHEMBL9314178 0.76 KDM4E (0.77) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL5176156 0.76 KDM4E (0.77) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL6546458 0.76 KDM4E (0.77) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL5177416 0.76 KDM4E (0.77) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL17434438 0.76 ALDH1A1 (0.68) ALDH1A1CYP2C19MAPTGAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686306-B1 BENZO[B][1,4]OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-01-04 — — EP disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 — — US disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 — — US disclosed
US-9464063-B2 Benzo [B] [1,4] oxazin derivatives as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-10-11 — — US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 — — US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 — — US disclosed
US-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-01-16 — — US disclosed
WO-2012127388-A1 BENZO [B] [1, 4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-09-27 — — 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-20140018358-A1 BENZO [B] [1,4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR1, RYR2 ALDH1A1 2490/4885CYP2C19 1256/4885MAPT 2509/4885

“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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