SCHEMBL1989286

SCHEMBL1989286

Cc1cc(C)nc(NCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 7/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 3/20 0.36
MAPK1 P28482 3/20 0.36
RAB9A P51151 2/20 0.36
GBA1 P04062 2/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK1 P49759 1/20 0.36
CASR P41180 1/20 0.35
FABP4 P15090 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1989148 0.89 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1126711 0.88 CFTR (0.37) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1992483 0.87 KDM4E (0.41) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1644976 0.87 LMNA (0.39) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1645575 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1987586 0.85 HCRTR2 (0.40) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1644968 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1126673 0.85 LMNA (0.37) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL2230727 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL1996790 0.83 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNAHTTNPC1

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 5 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-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 SMN1; SMN2 2831/4885ALDH1A1 219/4885LMNA 3641/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SMN1; SMN2 2831/4885ALDH1A1 219/4885LMNA 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.