SCHEMBL296027

SCHEMBL296027

Cc1onc(-c2ccc(F)cn2)c1N(C)c1cc(C(=O)O)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 10/20 0.43
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
SLC34A1 Q06495 3/20 0.34
GRM5 P41594 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
TGFBR1 P36897 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL296599 0.88 GABRA5 (0.41) GABRA5SLC34A1
SCHEMBL297419 0.87 GABRA5 (0.42) GABRA5SLC34A1
SCHEMBL296673 0.86 GABRA5 (0.41) GABRA5TGFBR1
SCHEMBL298195 0.85 GABRA5 (0.46) GABRA5
SCHEMBL296857 0.84 GABRA5 (0.43) GABRA5SCDSCD5GRM5
SCHEMBL297987 0.84 GABRA5 (0.38) GABRA5SCDSCD5SLC34A1GRM5
SCHEMBL296607 0.83 GABRA5 (0.46) GABRA5
SCHEMBL296026 0.77 GABRA5 (0.51) GABRA5
SCHEMBL286458 0.76 GABRA5 (0.67) GABRA5
SCHEMBL295361 0.72 ALDH1A1 (0.41) GABRA5TDP1

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
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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 (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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885SCD 4604/4885SCD5 2095/4885

“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.