SCHEMBL543282

SCHEMBL543282

OCc1cccc2nnsc12

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18905972 0.84 THRB (0.31)
SCHEMBL17468807 0.81 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8038928 0.81 KMT2A (0.34) ALDH1A1
SCHEMBL8050376 0.79 AKR1B1 (0.43) MAPTALDH1A1KDM4E
SCHEMBL8038799 0.77 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL8049797 0.77 HTT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL8051660 0.74 CYP1A2 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL8049471 0.74 MAPT (0.33) MAPTSMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL8054106 0.71 CYP1A2 (0.36) ALDH1A1NPC1GAA
SCHEMBL8485908 0.69 PSMB8 (0.42) MAPTALDH1A1LMNATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-0502473-B1 Microbicidal benzo-1,2,3-thiadiazole derivatives NOVARTIS AG (CH) 2000-04-26 EP disclosed
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5304652-A Benzo-1,2,3-thiadiazole derivatives; fungicides CIBA-GEIGY CORPORATION (US) 1994-04-19 US disclosed
EP-0420803-B1 Benzo-1,2,3-thiadiazole derivatives and their use for protecting plants against diseases CIBA GEIGY AG (CH) 1994-03-09 EP disclosed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
US-5229384-A Microbiocides CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
EP-0502473-A1 Microbicidal benzo-1,2,3-thiadiazole derivatives CIBA-GEIGY AG (CH) 1992-09-09 EP disclosed
EP-0420803-A2 Benzo-1,2,3-thiadiazole derivatives and their use for protecting plants against diseases CIBA-GEIGY AG (CH) 1991-04-03 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 (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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH APOBEC3G 3209/4885PDCD1 4552/4885CD274 4763/4885

“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.