SCHEMBL18003262

SCHEMBL18003262

O=Cc1cccc(-c2ccc(-c3cccc(C(F)(F)F)c3)s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.47
IL2 P60568 1/20 0.47
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
TTR P02766 1/20 0.40
PIM1 P11309 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HSD17B1 P14061 3/20 0.40
HSD17B2 P37059 3/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CA12 O43570 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
SCHEMBL13221507 0.83 PRF1 (0.57) PRF1IL2ALDH1A1HDAC6SMN1; SMN2
SCHEMBL29425705 0.81 FBP1 (0.56) FBP1ALDH1A1POLBL3MBTL1TTR
SCHEMBL67201 0.81 FBP1 (0.56) FBP1ALDH1A1POLBL3MBTL1TTR
SCHEMBL18002942 0.81 HSD17B1 (0.58) ALDH1A1HSD17B1HSD17B2TRIM24TRIM33
SCHEMBL1976815 0.80 TRIM24 (0.47) FBP1ALDH1A1POLBL3MBTL1TRIM24
SCHEMBL18003408 0.79 HDAC6 (0.53) FBP1ALDH1A1POLBL3MBTL1HDAC6
SCHEMBL18003271 0.79 ESR1 (0.44) ALDH1A1POLBL3MBTL1HDAC6HDAC4
SCHEMBL7215429 0.77 KIF11 (0.56) ALDH1A1POLBL3MBTL1TRIM24TRIM33
SCHEMBL1427373 0.77 TRIM24 (0.56) ALDH1A1TRIM24TRIM33CA12CA1
SCHEMBL30679628 0.77 KIF11 (0.56) ALDH1A1POLBL3MBTL1TRIM24TRIM33

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 PRF1 4877/4885IL2 3968/4885FBP1 298/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 PRF1 4877/4885IL2 3968/4885FBP1 298/4885

“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.