SCHEMBL1992803

SCHEMBL1992803

CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 3/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL1993111 0.90 ALDH1A1 (0.42) DRD2DRD4DRD3MAPTPOLB
SCHEMBL30235338 0.90 ALDH1A1 (0.42) DRD2DRD4DRD3MAPTPOLB
SCHEMBL1996541 0.89 REV1 (0.40) REV1DRD2DRD4DRD3MAPT
SCHEMBL1993070 0.88 MAPT (0.39) REV1DRD2DRD4DRD3MAPT
SCHEMBL1992485 0.88 ALDH1A1 (0.48) DRD2DRD4DRD3MAPTGAA
SCHEMBL30235329 0.88 ALDH1A1 (0.48) DRD2DRD4DRD3MAPTGAA
SCHEMBL1646298 0.86 THRB (0.51) REV1DRD2DRD4DRD3MAPT
SCHEMBL1991453 0.85 REV1 (0.42) REV1DRD2DRD4DRD3MAPT
SCHEMBL942761 0.85 REV1 (0.43) REV1DRD2DRD4DRD3MAPT
SCHEMBL1646661 0.84 THRB (0.49) REV1DRD2DRD4DRD3MAPT

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 REV1 140/4885DRD2 2160/4885DRD4 1570/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 REV1 140/4885DRD2 2160/4885DRD4 1570/4885

“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.