SCHEMBL1127441

SCHEMBL1127441

COCCn1ccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
SLK Q9H2G2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC2A1 P11166 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL1127486 0.83 ALDH1A1 (0.42) ALDH1A1TSHRHPGDGLA
SCHEMBL1127130 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL27756589 0.78 TLR8 (0.42) ALDH1A1APOBEC3GHPGDKDM4E
SCHEMBL1126659 0.76 GLA (0.40) ALDH1A1CYP1A2CYP3A4HSD17B10ALOX15
SCHEMBL1126698 0.74 POLB (0.38) ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL28131241 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4HSD17B10
SCHEMBL1126680 0.71 KDM4E (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL1516128 0.71 ALDH1A1 (0.34) ALDH1A1HSD17B10TSHRHPGDALOX15
SCHEMBL28730602 0.70 CYP1A2 (0.42) ALDH1A1L3MBTL1CYP1A2HPGDKCNH2
SCHEMBL9269074 0.67 MAOB (0.53) ALDH1A1CYP1A2MEN1KMT2AKDM4E

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 MAP4K4 3937/4885EGFR 3833/4885FRK 2743/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAP4K4 3937/4885EGFR 3833/4885FRK 2743/4885

“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.