SCHEMBL6794938

SCHEMBL6794938

Nc1ccc(C(=O)/C=C/c2cccnc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.76
MAPT P10636 2/20 0.76
KMT2A Q03164 1/20 0.76
PFKFB3 Q16875 1/20 0.75
CYP1B1 Q16678 10/20 0.72
CYP1A1 P04798 9/20 0.72
CYP1A2 P05177 9/20 0.72
NPC1 O15118 2/20 0.68
CYP3A4 P08684 6/20 0.64
CYP2D6 P10635 5/20 0.64
NTSR1 P30989 1/20 0.64
USP2 O75604 1/20 0.62
KDM4E B2RXH2 1/20 0.61
JUN P05412 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61

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
SCHEMBL6794941 1.00 RAB9A (0.76) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL13479662 0.92 RAB9A (0.88) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL1604140 0.86 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL5646960 0.86 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL29600034 0.86 RAB9A (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196639 0.86 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL979409 0.86 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL7368933 0.86 CYP1B1 (0.83) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL29458617 0.86 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1
SCHEMBL196640 0.86 PFKFB3 (1.00) RAB9AMAPTKMT2APFKFB3CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
EP-3193603-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2017-07-26 EP disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
WO-2016040498-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. (US) 2016-03-17 WO disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (4 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-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 RAB9A 759/4885MAPT 3577/4885KMT2A 580/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 RAB9A 759/4885MAPT 3577/4885KMT2A 580/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 RAB9A 3707/4885MAPT 4795/4885KMT2A 2457/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 RAB9A 705/4885MAPT 3503/4885KMT2A 551/4885

“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.