SCHEMBL1127130

SCHEMBL1127130

COCCn1ccc(-c2cccc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.40
NOTUM Q6P988 1/20 0.38
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
LMNA P02545 1/20 0.37
ESR2 Q92731 1/20 0.36
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL28131241 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4HSD17B10TP53
SCHEMBL1127441 0.81 MAP4K4 (0.40) ALDH1A1CYP1A2CYP3A4ALOX15CASP1
SCHEMBL1127486 0.81 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL1126659 0.75 GLA (0.40) ALDH1A1CYP1A2CYP3A4ALOX15HSD17B10
SCHEMBL1995016 0.73 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4ALOX15CASP1
SCHEMBL1126651 0.70 CNR1 (0.45) ALDH1A1CYP1A2CYP3A4ALOX15CASP1
SCHEMBL1126680 0.70 KDM4E (0.41) ALDH1A1CYP1A2CYP3A4CASP1HSD17B10
SCHEMBL1126698 0.70 POLB (0.38) ALDH1A1HSD17B10KDM4E
SCHEMBL21507854 0.69 KMT2A (0.48) KDM4ELMNAMEN1KMT2A
SCHEMBL1989510 0.69 CNR1 (0.41) ALDH1A1CYP1A2CYP3A4ALOX15CASP1

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 ALDH1A1 219/4885CYP1A2 86/4885CYP3A4 321/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885CYP1A2 86/4885CYP3A4 321/4885

“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.