SCHEMBL18005253

SCHEMBL18005253

CCc1oc(-c2ccc(Cl)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.41
ALDH1A1 P00352 10/20 0.41
HPGD P15428 8/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
GAA P10253 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 5/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL16399433 0.91 KDM4E (0.40) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005259 0.89 ALDH1A1 (0.39) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005450 0.87 ALOX15 (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005261 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005399 0.87 ALOX15 (0.35) KDM4EALDH1A1HPGDALOX15MAPT
SCHEMBL18005361 0.86 ALOX15 (0.46) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005497 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL16398311 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005502 0.85 NOTUM (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL18005547 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1RAB9A

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 KDM4E 2681/4885ALDH1A1 1611/4885HPGD 2152/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885ALDH1A1 1611/4885HPGD 2152/4885

“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.