SCHEMBL1993577

SCHEMBL1993577

Cc1cc(C)nc(N(C)CCCN(C)c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCC4)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
MCHR1 Q99705 4/20 0.32
GFER P55789 2/20 0.32
TSHR P16473 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
DGAT1 O75907 1/20 0.31
CNR1 P21554 1/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CLK1 P49759 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL942871 0.98 HTT (0.34) SMN1; SMN2LMNAHTTUSP2MAPT
SCHEMBL1989804 0.97 LMNA (0.35) SMN1; SMN2LMNAHTTUSP2MAPT
SCHEMBL942413 0.95 MCHR1 (0.34) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL1991888 0.93 TRPV1 (0.34) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL1988517 0.90 LMNA (0.34) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL1988872 0.89 MAPT (0.38) SMN1; SMN2LMNAHTTUSP2MAPT
SCHEMBL1126718 0.88 KCNA5 (0.35) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL1988549 0.87 CASR (0.34) SMN1; SMN2LMNAHTTUSP2MAPT
SCHEMBL1990147 0.86 MAPT (0.39) SMN1; SMN2LMNAHTTUSP2MAPT
SCHEMBL1993613 0.85 LMNA (0.37) SMN1; SMN2LMNAHTTUSP2MAPT

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 SMN1; SMN2 2831/4885LMNA 3641/4885HTT 776/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SMN1; SMN2 2831/4885LMNA 3641/4885HTT 776/4885

“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.