SCHEMBL1990491

SCHEMBL1990491

Cc1cc(C)nc(NCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCOC4)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CHRNA7 P36544 1/20 0.36
GLA P06280 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 2/20 0.35
RAF1 P04049 4/20 0.35
BRAF P15056 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.34
HSD17B10 Q99714 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 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
SCHEMBL1989025 0.90 CASR (0.39) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1126807 0.90 MAPT (0.37) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1996790 0.88 SMN1; SMN2 (0.34) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1992903 0.88 MAPT (0.37) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1126809 0.87 MAPT (0.38) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1993154 0.82 MAPT (0.43) MAPTALDH1A1LMNAHTTCHRNA7
SCHEMBL1989596 0.82 MAPT (0.40) MAPTALDH1A1LMNAHTTCHRNA7
SCHEMBL1990147 0.82 MAPT (0.39) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1989286 0.81 SMN1; SMN2 (0.38) CASRMAPTALDH1A1LMNAHTT
SCHEMBL1988085 0.81 MAPT (0.42) MAPTALDH1A1LMNAHTTCHRNA7

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
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-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 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

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 CASR 3563/4885MAPT 1696/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CASR 3563/4885MAPT 1696/4885ALDH1A1 219/4885

“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.