SCHEMBL18005444

SCHEMBL18005444

Cc1oc(-c2cccc(Cl)c2)nc1-c1nn[nH]c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GUSB P08236 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 3/20 0.41
NOTUM Q6P988 2/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
SLC9A1 P19634 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL18005361 0.87 ALOX15 (0.46) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL16398311 0.86 KDM4E (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005580 0.85 ALOX15 (0.46) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005334 0.84 ALOX15 (0.37) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005226 0.84 ALOX15 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005441 0.84 MAPT (0.46) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL16399641 0.83 GRM5 (0.43) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005426 0.81 ALOX15 (0.40) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005366 0.81 ALOX15 (0.40) ALOX15KDM4EALDH1A1HPGDNPC1
SCHEMBL18005363 0.81 ALOX15 (0.40) ALOX15KDM4EALDH1A1HPGDNPC1

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 ALOX15 2623/4885KDM4E 2681/4885ALDH1A1 1611/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALOX15 2623/4885KDM4E 2681/4885ALDH1A1 1611/4885

“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.