SCHEMBL1126994

SCHEMBL1126994

COCCn1cc(-c2ccccc2)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
GSK3B P49841 4/20 0.41
DYRK1A Q13627 2/20 0.41
NFATC1 O95644 1/20 0.41
HPGD P15428 1/20 0.40
CASR P41180 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.36
CECR2 Q9BXF3 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKACA P17612 2/20 0.34
PRKACG P22612 2/20 0.34
PRKACB P22694 2/20 0.34

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
SCHEMBL1992653 0.82 CNR1 (0.44) CNR1CNR2GSK3BDYRK1ANFATC1
SCHEMBL30972372 0.75 CNR1 (0.44) CNR1CNR2GSK3BDYRK1ANFATC1
SCHEMBL1126708 0.73 BRD4 (0.47) GSK3BHPGDALDH1A1BRD4KDM4E
SCHEMBL1126990 0.70 CNR1 (0.45) CNR1CNR2GSK3BDYRK1ANFATC1
SCHEMBL17280148 0.65 BRD4 (0.46) CNR1CNR2HPGDALDH1A1LMNA
SCHEMBL1127170 0.65 CNR1 (0.43) CNR1CNR2GSK3BDYRK1ANFATC1
SCHEMBL1126860 0.65 CNR1 (0.43) CNR1CNR2GSK3BDYRK1ANFATC1
SCHEMBL10897592 0.65 CNR1 (0.42) CNR1CNR2HPGDALDH1A1LMNA
SCHEMBL1127347 0.63 CNR1 (0.50) CNR1CNR2HPGDALDH1A1LMNA
SCHEMBL1127178 0.63 CNR1 (0.44) CNR1CNR2HPGDALDH1A1LMNA

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 CNR1 1131/4885CNR2 3554/4885GSK3B 3639/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CNR1 1131/4885CNR2 3554/4885GSK3B 3639/4885

“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.