SCHEMBL1990116

SCHEMBL1990116

COCc1cc(-c2ccccc2)cn1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
NR4A2 P43354 1/20 0.36
SLC2A1 P11166 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ASH1L Q9NR48 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AGXT P21549 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CNR1 P21554 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
SCHEMBL1127035 0.84 BRD4 (0.45) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1127393 0.79 BRD4 (0.50) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1127167 0.79 BRD4 (0.37) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126969 0.76 BRD4 (0.47) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL11878553 0.70 SMN1; SMN2 (0.46) BRD4KDM4EALDH1A1POLBHPGD
SCHEMBL1127170 0.70 CNR1 (0.43) BRD4ALDH1A1GLAHPGDCNR1
SCHEMBL1126837 0.69 BRD4 (0.37) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL1126626 0.69 BRD4 (0.60) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL22572505 0.68 PTGS2 (0.32) POLB
SCHEMBL1126777 0.68 COMT (0.38) BRD4KDM4EALDH1A1GLAGAA

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.