SCHEMBL1990112

SCHEMBL1990112

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCC5)cc3Cl)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.38
NPY2R P49146 6/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM5 P08912 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
CHRM3 P20309 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 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
SCHEMBL943289 0.98 NPY2R (0.37) CHRM1NPY2RNPC1RAB9ALMNA
SCHEMBL942509 0.91 NPY2R (0.38) NPY2RRAB9ALMNAALDH1A1HTT
SCHEMBL942216 0.90 GBA1 (0.36) LMNAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL1988199 0.89 MAPT (0.39) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL1989279 0.89 HTT (0.42) CHRM1NPC1RAB9ALMNAALDH1A1
SCHEMBL1989759 0.87 ALDH1A1 (0.39) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL943156 0.86 ALDH1A1 (0.40) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL1126444 0.86 NPC1 (0.41) CHRM1NPY2RNPC1RAB9ALMNA
SCHEMBL943690 0.86 TRPV1 (0.34) NPY2RNPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL1991892 0.86 MAPT (0.40) NPC1RAB9ALMNAALDH1A1HTT

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 CHRM1 153/4885NPY2R 1755/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CHRM1 153/4885NPY2R 1755/4885NPC1 491/4885

“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.