SCHEMBL1993096

SCHEMBL1993096

Cc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5n4CCC5)cc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL944509 0.97 MAPT (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL943483 0.96 NPC1 (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1988997 0.90 THRB (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1991453 0.90 REV1 (0.42) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1988199 0.88 MAPT (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1993121 0.88 PANK3 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1988718 0.88 CHRNA7 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL943790 0.87 THRB (0.44) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL942761 0.87 REV1 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1989759 0.87 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A

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 ALDH1A1 219/4885MAPT 1696/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885MAPT 1696/4885KDM4E 1706/4885

“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.