SCHEMBL20554199

SCHEMBL20554199

C=CCOc1cc(N)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 7/20 0.39
CA1 P00915 7/20 0.39
CA9 Q16790 7/20 0.39
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
MAPT P10636 1/20 0.36
FGFR1 P11362 1/20 0.36
HPRT1 P00492 1/20 0.36
AGXT P21549 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
SCHEMBL13888301 0.83 CA12 (0.44) HPGDNPC1RAB9ACA12CA1
SCHEMBL3824052 0.82 CA12 (0.50) HPGDNPC1RAB9ACA12CA1
SCHEMBL11580959 0.81 NQO2 (0.50) HPGDNPC1RAB9ACA12CA1
SCHEMBL293760 0.78 CYP3A4 (0.46) HPGDNPC1RAB9AALDH1A1TSHR
SCHEMBL470906 0.75 CA12 (0.57) NPC1RAB9ACA12CA1CA9
SCHEMBL30541768 0.75 CA12 (0.57) NPC1RAB9ACA12CA1CA9
SCHEMBL4083623 0.75 ALOX5 (0.59) NPC1RAB9ACYP3A4MAPT
SCHEMBL293052 0.75 AGXT (0.41) HPGDNPC1RAB9ACA12CA1
SCHEMBL20554924 0.75 HPGD (0.43) HPGDCA12CA1CA9CA2
SCHEMBL20530588 0.74 MAOB (0.46) HPGDCA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368069-B Oxazine compound, composition and cured product DIC株式会社 2022-10-14 CN disclosed
US-10399312-B2 Oxazine compound, composition and cured product DIC CORPORATION (JP) 2019-09-03 US disclosed
US-20180333941-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC CORPORATION (JP) 2018-11-22 US disclosed
EP-3401311-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT DIC Corporation (JP) 2018-11-14 EP 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 (2 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-20180333941-A1 OXAZINE COMPOUND, COMPOSITION AND CURED PRODUCT KDM5A, PSMB5, CUL5 HPGD 1322/4885NPC1 3956/4885RAB9A 4840/4885
US-10399312-B2 Oxazine compound, composition and cured product KDM5A, PSMB5, CUL5 HPGD 1322/4885NPC1 3956/4885RAB9A 4840/4885

“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.