SCHEMBL7086255

SCHEMBL7086255

CCOC(=O)c1cncc(-c2c(F)cccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.42
BRAF P15056 1/20 0.42
CYP1A2 P05177 1/20 0.42
IMPDH2 P12268 1/20 0.42
CTSA P10619 1/20 0.41

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
SCHEMBL12812860 0.83 CYP2C9 (0.54) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL5372083 0.80 CYP2C9 (0.65) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL18255787 0.80 TTR (0.57) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL2260952 0.79 KDM1A (0.56) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL14691464 0.79 CYP2C9 (0.49) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL31418275 0.78 CYP2C9 (0.55) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL14589039 0.78 DPP4 (0.39) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL31418164 0.78 CYP2C9 (0.51) CYP2C9CYP2C19MAPTIMPDH2CTSA
SCHEMBL1895643 0.78 CYP2C9 (0.57) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1
SCHEMBL15830643 0.77 CYP2C9 (0.54) CYP2C9CYP2C19SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A CYP2C9 582/4885CYP2C19 344/4885SMN1; SMN2 3569/4885

“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.