SCHEMBL1992886

SCHEMBL1992886

CSCCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
DRD2 P14416 1/20 0.33
HPGD P15428 1/20 0.32
RCE1 Q9Y256 1/20 0.32
PDE10A Q9Y233 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
GRIN2B Q13224 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
COMT P21964 1/20 0.31

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
SCHEMBL1126676 0.83 BRD4 (0.39) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126929 0.81 TYR (0.46) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1127073 0.79 BRD4 (0.42) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126694 0.79 BRD4 (0.42) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1127094 0.78 TYR (0.49) BRD4KDM4EALDH1A1HPGDNPC1
SCHEMBL1126585 0.77 BRD4 (0.42) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126990 0.77 CNR1 (0.45) BRD4KDM4EALDH1A1GLAHPGD
SCHEMBL1126509 0.77 HTR2A (0.42) BRD4
SCHEMBL1127089 0.74 GLO1 (0.42) BRD4ALDH1A1HPGDNPC1RAB9A
SCHEMBL1126844 0.74 KDM4E (0.46) BRD4KDM4EALDH1A1NPC1RAB9A

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 7 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

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 3630/4885KDM4E 1706/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885KDM4E 1706/4885ALDH1A1 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.