SCHEMBL16398809

SCHEMBL16398809

COC(=O)c1nc2ccc(Oc3ccccc3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 8/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 3/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.50
SCD O00767 1/20 0.50
MEN1 O00255 2/20 0.49
FSCN1 Q16658 1/20 0.49
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
BAD Q92934 1/20 0.49

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
SCHEMBL21945012 0.90 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPTNPC1
SCHEMBL21945149 0.88 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPTNPC1
SCHEMBL18003459 0.85 MAPT (0.65) ALDH1A1MAPTHSD17B1HSD17B2MAOA
SCHEMBL7158014 0.85 MAPT (0.64) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL4345364 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL11278674 0.78 NPC1 (0.74) TDP1L3MBTL1MAPTNPC1RAB9A
SCHEMBL730623 0.77 ALDH1A1 (0.65) ALDH1A1HSD17B1HSD17B2MAOB
SCHEMBL20832544 0.76 ALDH1A1 (0.67) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL28056153 0.76 TDP1 (0.60) ALDH1A1TDP1L3MBTL1MAPTNPC1
SCHEMBL25221815 0.76 ALDH1A1 (0.63) ALDH1A1MAPTNPC1RAB9AHTT

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
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 ALDH1A1 1611/4885TDP1 2138/4885L3MBTL1 1503/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885TDP1 2138/4885L3MBTL1 1503/4885

“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.