Sugi Predict

Sugi Predict / Compounds / SCHEMBL2231864

SCHEMBL2231864

SCHEMBL2231864

Cc1cc(C)nc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ PHGDH O43175 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PORCN Q9H237 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ SORT1 Q99523 1/20 0.39

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
SCHEMBL2231547 0.79 MAPT (0.48) POLBPHGDHNPC1RAB9AMAPT
SCHEMBL1127221 0.79 POLB (0.55) POLBMAPK1PHGDHCYP1A2CYP3A4
SCHEMBL1987843 0.79 NPC1 (0.49) POLBMAPK1PHGDHCYP1A2CYP3A4
SCHEMBL1645588 0.78 CYP1A2 (0.71) POLBCYP1A2CYP3A4MAPTALDH1A1
SCHEMBL1645614 0.76 NPC1 (0.56) POLBMAPK1PHGDHNPC1RAB9A
SCHEMBL1647535 0.74 MAPT (0.38) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL942774 0.73 MAPT (0.52) POLBMAPK1CYP1A2CYP3A4MAPT
SCHEMBL942649 0.72 MAPT (0.45) MAPTALDH1A1
SCHEMBL943658 0.71 MAPT (0.57) POLBMAPK1CYP1A2CYP3A4MAPT
SCHEMBL2230936 0.70 MAPT (0.43) POLBMAPK1PHGDHCYP1A2CYP3A4

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
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 — — US disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 — — EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 — — 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 POLB 4825/4885MAPK1 1924/4885PHGDH 3557/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 POLB 4855/4885MAPK1 2533/4885PHGDH 3050/4885

“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.