SCHEMBL1127469

SCHEMBL1127469

CCCOCn1cc(-c2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
APAF1 O14727 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL1127276 0.87 BRD4 (0.40) BRD4RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1988099 0.86 BRD4 (0.37) BRD4RAB9AALDH1A1HPGDF2RL3
SCHEMBL1127040 0.86 ALDH1A1 (0.38) BRD4PTGS1PTGS2RAB9AALDH1A1
SCHEMBL1126929 0.78 TYR (0.46) BRD4ALDH1A1KDM4EGAAHSD11B1
SCHEMBL1126844 0.78 KDM4E (0.46) BRD4RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL1126585 0.78 BRD4 (0.42) BRD4RAB9AALDH1A1NPSR1MAPK1
SCHEMBL1126944 0.76 KDM4E (0.41) BRD4RAB9AMAPK1HPGDSMN1; SMN2
SCHEMBL1127094 0.76 TYR (0.49) BRD4RAB9AALDH1A1NPSR1HPGD
SCHEMBL1126990 0.74 CNR1 (0.45) BRD4ALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL1127073 0.73 BRD4 (0.42) BRD4ALDH1A1CHRNB2CHRNA4HPGD

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 3630/4885PTGS1 1941/4885PTGS2 4123/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 BRD4 3630/4885PTGS1 1941/4885PTGS2 4123/4885

“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.