SCHEMBL18005261

SCHEMBL18005261

COCc1oc(-c2ccc(Cl)cc2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 10/20 0.43
HPGD P15428 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1D1 P20393 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
SCHEMBL18005489 0.88 ALOX15 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005253 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16399433 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005259 0.83 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005497 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16399661 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL16398311 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005547 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005360 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18005406 0.76 NPC1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1

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.