SCHEMBL18005349

SCHEMBL18005349

N#Cc1[nH]nnc1-c1nc(-c2ccccc2Cl)oc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.41
ALDH1A1 P00352 14/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
STAT6 P42226 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 8/20 0.41
HSD17B10 Q99714 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 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
SCHEMBL18005566 0.86 ALOX15 (0.43) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18005487 0.82 ALDH1A1 (0.39) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18005287 0.82 KDM4E (0.38) KDM4EALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL18005301 0.82 ALOX15 (0.41) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL16399641 0.81 GRM5 (0.43) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL16399227 0.80 KDM4E (0.47) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18005291 0.79 GRM5 (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2ALOX15
SCHEMBL18005300 0.79 ALOX15 (0.34) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18005459 0.78 ALDH1A1 (0.41) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18005276 0.78 PRCP (0.42) KDM4EALDH1A1NPC1RAB9ANPSR1

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 1611/4885LMNA 4192/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885ALDH1A1 1611/4885LMNA 4192/4885

“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.