SCHEMBL2230936

SCHEMBL2230936

Cc1cc(C)nc(NCCN(C(=O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GSTO1 P78417 1/20 0.43
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
TP53 P04637 1/20 0.36
PHGDH O43175 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL2231796 0.85 ALDH1A1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL2231547 0.81 MAPT (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2230526 0.80 MAPT (0.40) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL941923 0.77 MAPT (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1644583 0.77 MAPT (0.40) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL1644584 0.76 MAPT (0.39) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL1646967 0.73 MAPT (0.56) MAPTALDH1A1SMN1; SMN2KMT2AKCNH2
SCHEMBL1645589 0.72 MAPT (0.46) MAPTNPC1ALDH1A1PHGDHPOLB
SCHEMBL27458750 0.71 ALDH1A1 (0.59) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL2231864 0.70 POLB (0.47) MAPTNPC1RAB9AALDH1A1SMN1; 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 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 MAPT 1771/4885NPC1 173/4885RAB9A 2410/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885NPC1 876/4885RAB9A 2787/4885

“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.