SCHEMBL2230145

SCHEMBL2230145

Cc1cc(C)nc(CN(C(=O)C(F)(F)F)c2ccc(N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.36
ALDH1A1 P00352 2/20 0.33
GRM5 P41594 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.33
TSPO P30536 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SYK P43405 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2230526 0.84 MAPT (0.40) ALDH1A1CYP3A4SMN1; SMN2KCNH2
SCHEMBL2231796 0.78 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4SMN1; SMN2SYK
SCHEMBL1644583 0.69 MAPT (0.40) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5396818 0.67 MLYCD (0.49) ALDH1A1CYP3A4TDP1
SCHEMBL2393434 0.64 ALDH1A1 (0.45) ALDH1A1GRM5TP53CYP3A4SMN1; SMN2
SCHEMBL10139066 0.64 ALDH1A1 (0.39) ALDH1A1GRM5TP53CYP3A4NOS3
Trifluoroacetic Acid SCHEMBL1846801 0.62 NOS2 (0.64) ALDH1A1TP53NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL3808675 0.62 MAPT (0.44) ALDH1A1TP53SMN1; SMN2NOS3NOS1
SCHEMBL2231028 0.62 NOS2 (0.55) NOS3NOS1NOS2
SCHEMBL5772762 0.61 HTT (0.58) ALDH1A1ADORA2AADORA1NOS3NOS1

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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 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 (2 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 POLQ 4695/4885ALDH1A1 2813/4885GRM5 1070/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 POLQ 4833/4885ALDH1A1 318/4885GRM5 2963/4885

“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.