SCHEMBL1127221

SCHEMBL1127221

Cc1cc(C)nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PHGDH O43175 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1987843 0.81 NPC1 (0.49) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL1645588 0.80 CYP1A2 (0.71) POLBLMNAALDH1A1MAPTKMT2A
SCHEMBL2231864 0.79 POLB (0.47) POLBMAPK1ALDH1A1MAPTKMT2A
SCHEMBL1645589 0.78 MAPT (0.46) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL1645614 0.78 NPC1 (0.56) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL15306485 0.77 KMT2A (0.56) MAPK1LMNAALDH1A1MAPTKMT2A
SCHEMBL9665242 0.73 MAPK1 (0.70) MAPK1LMNAALDH1A1MAPTCYP1A2
SCHEMBL27560077 0.73 TSHR (0.56) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL22022017 0.72 LMNA (0.65) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL9077089 0.72 MAPK1 (0.83) MAPK1LMNAALDH1A1MAPTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885MAPK1 1181/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885MAPK1 1181/4885LMNA 3641/4885

“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.