SCHEMBL1127326

SCHEMBL1127326

Cc1cc(-c2ccccc2)cn1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
PDE10A Q9Y233 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADAMTS4 O75173 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
COMT P21964 1/20 0.34
ADORA2A P29274 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL1990134 0.74 BRD4 (0.41) BRD4ALDH1A1KDM4ETDP1PDCD1
SCHEMBL1126626 0.72 BRD4 (0.60) BRD4ALDH1A1KDM4EGLAGAA
SCHEMBL9753270 0.71 BRD4 (0.44) BRD4ALDH1A1KDM4ETDP1GLA
SCHEMBL18947280 0.69 COMT (0.53) BRD4ALDH1A1KDM4ECOMT
SCHEMBL1126585 0.68 BRD4 (0.42) BRD4PDE10AALDH1A1KDM4EGLA
SCHEMBL31585757 0.68 BRD4 (0.50) BRD4ALDH1A1KDM4EGLAGAA
Biphenyl SCHEMBL27656690 0.67 ALDH1A1 (0.69) ALDH1A1TDP1PDCD1CD274GAA
SCHEMBL1126710 0.65 BRD4 (0.52) BRD4PDE10AALDH1A1KDM4EPDCD1
SCHEMBL22849636 0.64 ADORA3 (0.39) PDE10AALDH1A1KDM4EGAAADORA2A
Biphenyl SCHEMBL27519887 0.64 ALDH1A1 (0.64) ALDH1A1TDP1PDCD1CD274GAA

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 9 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-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
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 BRD4 3630/4885PDE10A 2135/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885PDE10A 2135/4885ALDH1A1 219/4885

“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.