SCHEMBL2230526

SCHEMBL2230526

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GSTO1 P78417 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HTT P42858 2/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 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
SCHEMBL1644583 0.85 MAPT (0.40) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2230145 0.84 POLQ (0.36) CYP3A4ALDH1A1KCNH2SMN1; SMN2
SCHEMBL1644584 0.80 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL2230936 0.80 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27458750 0.75 ALDH1A1 (0.59) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL27438395 0.74 ALDH1A1 (0.58) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1126476 0.72 NPC1 (0.48) MAPTNPC1RAB9AGSTO1ALDH1A1
SCHEMBL2391885 0.68 ALDH1A1 (0.49) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL1647801 0.67 MAPT (0.50) MAPTRAB9AALDH1A1HTTJAK2
SCHEMBL942774 0.65 MAPT (0.52) MAPTCYP1A2CYP3A4ALDH1A1HTT

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 1771/4885CYP1A2 146/4885CYP3A4 115/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 MAPT 2950/4885CYP1A2 3/4885CYP3A4 81/4885

“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.