SCHEMBL18002201

SCHEMBL18002201

O=Cc1cccn1Cc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CES2 O00748 1/20 0.36
SRD5A2 P31213 1/20 0.35
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 2/20 0.34
FFAR1 O14842 4/20 0.34

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
SCHEMBL31622840 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2CES2MAPT
SCHEMBL16403508 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2CES2MAPT
SCHEMBL17894535 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL17894524 0.78 MAPT (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTATM
SCHEMBL18002126 0.77 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2D6
SCHEMBL18002236 0.74 PPARG (0.40) MAPTCYP3A4CYP2D6
SCHEMBL6864791 0.74 CES2 (0.47) CES2SRD5A2CYP3A4CYP2D6
SCHEMBL18003066 0.74 CYP2A6 (0.42) SRD5A2
SCHEMBL18001839 0.70 KIF11 (0.50) ALDH1A1CES2SRD5A2CYP3A4CYP2D6
SCHEMBL10499962 0.69 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPT

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 ALDH1A1 1611/4885KDM4E 2681/4885SMN1; SMN2 3834/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ALDH1A1 1611/4885KDM4E 2681/4885SMN1; SMN2 3834/4885

“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.