SCHEMBL18003147

SCHEMBL18003147

O=Cc1cccn2cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.46
RAB9A P51151 12/20 0.46
ALDH1A1 P00352 10/20 0.46
NFKB1 P19838 9/20 0.46
NFKB2 Q00653 9/20 0.46
RELA Q04206 9/20 0.46
KDM4E B2RXH2 6/20 0.46
TP53 P04637 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
DHODH Q02127 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A3 P47895 4/20 0.44
ALDH1A2 O94788 3/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL12828975 0.83 DHODH (0.49) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL2315640 0.83 ALDH1A3 (0.62) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL12828980 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL7501277 0.80 ALDH1A1 (0.72) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL2317584 0.77 LMNA (0.33) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5073469 0.77 DHODH (0.59) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL5249732 0.74 DHODH (0.46) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL12828981 0.72 PARP1 (0.49) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL18003556 0.72 DHODH (0.52) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL22614971 0.72 RAB9A (0.69) NPC1RAB9AALDH1A1NFKB1NFKB2

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 NPC1 1062/4885RAB9A 4775/4885ALDH1A1 1611/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885RAB9A 4775/4885ALDH1A1 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.