SCHEMBL18003992

SCHEMBL18003992

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSP90AA1 P07900 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
PPARA Q07869 8/20 0.45
PPARD Q03181 5/20 0.45
PPARG P37231 4/20 0.45
FFAR1 O14842 2/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL20642209 0.87 MAPT (0.68) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL18003971 0.85 ALDH1A1 (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL18003454 0.83 L3MBTL1 (0.70) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL18003145 0.83 KDM4E (0.46) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL16399838 0.82 LMNA (0.44) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL18003650 0.82 PIK3CD (0.40) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL18003674 0.82 KDM4E (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29462096 0.82 KDM4E (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6373670 0.81 ALDH1A1 (0.56) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL2168235 0.81 ALDH1A1 (0.70) MAPTKDM4EMEN1KMT2AHSP90AA1

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
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
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US 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 MAPT 2196/4885KDM4E 2681/4885MEN1 3151/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885KDM4E 2681/4885MEN1 3151/4885

“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.