SCHEMBL1644572

SCHEMBL1644572

Nc1ncc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(-c3ncco3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC4 P56524 1/20 0.38
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
JAK3 P52333 1/20 0.34
IKBKE Q14164 2/20 0.33

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
SCHEMBL1645643 0.90 L3MBTL1 (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646470 0.82 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646736 0.81 MAPT (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1644368 0.77 SMN1; SMN2 (0.51) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8002223 0.76 SMN1; SMN2 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL3885430 0.75 SMN1; SMN2 (0.55) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646360 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1646412 0.73 L3MBTL1 (0.57) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1645230 0.73 THRB (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1127228 0.72 FAAH (0.40) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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
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
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 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 (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 ALDH1A1 2813/4885MAPT 1771/4885LMNA 3870/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 ALDH1A1 318/4885MAPT 2950/4885LMNA 1805/4885

“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.