Sugi Predict

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SCHEMBL5290299

SCHEMBL5290299

FC(F)(F)c1cccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.73
▸ CYP11B2 P19099 2/20 0.73
▸ CYP19A1 P11511 8/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ NR1I2 O75469 2/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ TBXA2R P21731 2/20 0.55
▸ CCKBR P32239 2/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ SLC6A3 Q01959 2/20 0.55
▸ KCNH2 Q12809 2/20 0.55
▸ NR1H4 Q96RI1 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55

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
SCHEMBL5445913 1.00 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
Hydrochloric Acid SCHEMBL5287102 0.98 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL5321882 0.90 NR1I2 (0.60) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL332630 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL9720834 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL14580163 0.84 NR1I2 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL7159462 0.82 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL8184195 0.82 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL9720803 0.81 NR1I2 (0.67) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL12199510 0.80 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2

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 5 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
US-20070037800-A1 Method of treating neurological disorders using clotrimazole and derivatives thereof ENVIVO PHARMACEUTICALS, INC. 2007-02-15 — — US disclosed
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
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 CYP11B1 224/4885CYP11B2 175/4885CYP19A1 1187/4885

“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.