SCHEMBL9852815

SCHEMBL9852815

CCOc1cnc(C(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PLA2G4B P0C869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP10 Q53GL7 1/20 0.41
P4HTM Q9NXG6 3/20 0.41
NQO1 P15559 1/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALPL P05186 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL26130780 0.79 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1P4HTMNPC1
SCHEMBL13277846 0.79 NPC1 (0.40) MAPTCYP1A2KDM4EALDH1A1PARP10
SCHEMBL10328697 0.78 CA1 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9852820 0.76 KMT2A (0.40) MAPTPLA2G4BCYP1A2ALDH1A1PARP10
SCHEMBL1403507 0.75 P4HTM (0.63) MAPTPLA2G4BCYP1A2KDM4EALDH1A1
SCHEMBL9477821 0.74 NPC1 (0.47) MAPTSMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL12614887 0.73 NQO1 (0.48) MAPTCYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL13278170 0.72 NQO1 (0.38) MAPTSMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL15908848 0.72 KDM4E (0.42) MAPTPLA2G4BSMN1; SMN2CYP1A2KDM4E
SCHEMBL8785751 0.72 KDM4E (0.45) MAPTPLA2G4BSMN1; SMN2CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
EP-2665732-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
US-8592408-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-26 US disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
EP-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 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 (3 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 MAPT 11/4885PLA2G4B 3559/4885SMN1; SMN2 925/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 MAPT 11/4885PLA2G4B 3559/4885SMN1; SMN2 925/4885
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 MAPT 11/4885PLA2G4B 3559/4885SMN1; SMN2 925/4885

“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.