SCHEMBL1996541

SCHEMBL1996541

CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc(C)n4CCOC)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 6/20 0.37
HTT P42858 3/20 0.37
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 1/20 0.37
LRRK2 Q5S007 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL1991279 0.92 DRD4 (0.39) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL15161945 0.90 HTR1A (0.44) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL1992803 0.89 REV1 (0.44) REV1DRD2DRD4DRD3ALDH1A1
SCHEMBL1126855 0.86 RAB9A (0.41) ALDH1A1MAPTKMT2ANPY2RPOLB
SCHEMBL1126600 0.86 MAPT (0.38) ALDH1A1TSHRMAPTMAPK1USP2
SCHEMBL1989483 0.85 KCNH2 (0.41) DRD3ALDH1A1TSHRMAPTCYP3A4
SCHEMBL1126471 0.84 LMNA (0.38) ALDH1A1TSHRMAPTCYP3A4MAPK1
SCHEMBL1990333 0.82 MAPKAPK2 (0.41) ALDH1A1MAPTCYP3A4NPY2RHSD17B10
SCHEMBL1993424 0.82 SLC2A1 (0.37) ALDH1A1TSHRMAPTHTTCYP3A4
SCHEMBL1989903 0.81 DGAT1 (0.40) ALDH1A1TSHRMAPTMAPK1KMT2A

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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 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 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.