SCHEMBL7918847

SCHEMBL7918847

O=C(NC(=S)N[C@@]1(c2ccccc2F)COCC[C@H]1CO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
OPRD1 P41143 1/20 0.32
CHRM3 P20309 4/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
CASP3 P42574 1/20 0.30
PIN1 Q13526 1/20 0.30

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
SCHEMBL14733553 0.92 MDM4 (0.37) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL2619825 0.87 KMT2A (0.36) KMT2AEPHX2DPP8DPP9MDM4
SCHEMBL12693427 0.82 KMT2A (0.36) KMT2AEPHX2DPP8DPP9MDM4
SCHEMBL2926269 0.81 KMT2A (0.35) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL2619847 0.81 KMT2A (0.35) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL8028572 0.81 KMT2A (0.35) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL2619850 0.81 KMT2A (0.35) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL8018850 0.81 KMT2A (0.35) KMT2AEPHX2DPP8DPP9CHRM3
SCHEMBL1934887 0.79
SCHEMBL14733557 0.75 BACE1 (0.43) KMT2AEPHX2DPP8DPP9OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 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 (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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP KMT2A 1177/4885EPHX2 1816/4885DPP8 3012/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 KMT2A 2006/4885EPHX2 3180/4885DPP8 3981/4885

“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.