SCHEMBL5282593

SCHEMBL5282593

FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 1/20 0.43
AR P10275 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 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
SCHEMBL435727 0.85 LMNA (0.48) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL8904963 0.85 LMNA (0.48) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL15399429 0.79 MEN1 (0.40) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL1336544 0.74 LMNA (0.45) GAANPSR1ALDH1A1LMNAHTT
SCHEMBL5739149 0.72 ALDH1A1 (0.66) GAANPSR1CNR2ALDH1A1LMNA
SCHEMBL11627077 0.72 KCNA5 (0.56) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL9650536 0.71 CYP2B6 (0.46) ALDH1A1LMNAKDM4ETSHRSMN1; SMN2
Fluoride SCHEMBL30661872 0.71 TSHR (0.64) GAANPSR1ALDH1A1MAPTTDP1
Benzene SCHEMBL8568955 0.71 TSHR (0.67) GAANPSR1ALDH1A1LMNAMAPT
SCHEMBL5280949 0.70 KCNN4 (0.48) NPSR1ALDH1A1LMNAMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037800-A1 Method of treating neurological disorders using clotrimazole and derivatives thereof ENVIVO PHARMACEUTICALS, INC. 2007-02-15 US disclosed
WO-2007002497-A1 METHOD OF TREATING NEUROLOGICAL DISORDERS USING CLOTRIMAZOLE AND DERIVATIVES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2007-01-04 WO 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 (1 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-20070037800-A1 Method of treating neurological disorders using clotrimazole and derivatives thereof HTT, HYPK, GRIK3 GAA 109/4885NPSR1 1585/4885CNR2 549/4885

“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.