SCHEMBL5286108

SCHEMBL5286108

FC(F)(F)c1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.35
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FABP4 P15090 1/20 0.33
PKM P14618 1/20 0.33
AHR P35869 1/20 0.33
IDH2 P48735 1/20 0.33
KIF11 P52732 1/20 0.31
GRIN2B Q13224 1/20 0.31
ADRB2 P07550 1/20 0.31
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
NPBWR1 P48145 1/20 0.30
GRM4 Q14833 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2161282 0.76 NPSR1 (0.33) NPSR1
SCHEMBL5240366 0.74 KCNN4 (0.31)
SCHEMBL3827052 0.74 KCNN4 (0.33) ALDH1A1TSHRHPGDHSD17B10KDM4E
SCHEMBL5738210 0.74 ADORA2A (0.32) NPSR1
SCHEMBL1484198 0.74 KCNN4 (0.31)
SCHEMBL7838930 0.71 CYP3A4 (0.36) ALDH1A1LMNANPBWR1MAPTELANE
SCHEMBL22541579 0.71 HSP90AA1 (0.31)
Water SCHEMBL7413277 0.70
SCHEMBL11159377 0.70 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL649565 0.70 HPGD (0.56) ALDH1A1HPGDHSD17B10NPSR1KDM4E

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 ALDH1A1 2228/4885TSHR 906/4885HPGD 626/4885

“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.