SCHEMBL1127117

SCHEMBL1127117

COCn1ccc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP17A1 P05093 1/20 0.35
SLC2A1 P11166 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.33
BRD4 O60885 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A3 P47895 1/20 0.33
CYP19A1 P11511 2/20 0.33
IDH1 O75874 1/20 0.32
CYP26A1 O43174 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 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
SCHEMBL12605596 0.78 ALDH1A1 (0.40) KDM4ECYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL1126796 0.74 CNR2 (0.46) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL28196405 0.72 CYP11B1 (0.53) CYP11B1CYP11B2CYP17A1MAPTCYP19A1
SCHEMBL1126872 0.71 CA12 (0.41) KDM4ECYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL1126768 0.70 HTR2A (0.41) SLC2A1MAPTLMNA
SCHEMBL13692017 0.70 AKR1B1 (0.45) KDM4EALDH1A1MAPTHPGDCYP19A1
SCHEMBL10911316 0.70 CYP11B1 (0.33) KDM4ECYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL16867182 0.69 IDH1 (0.36) KDM4ECYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL1126991 0.69 AKR1B1 (0.61) KDM4EALDH1A1MAPTHPGDCYP19A1
SCHEMBL28210243 0.69 AR (0.40) KDM4ECYP11B1CYP11B2CYP17A1ALDH1A1

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 KDM4E 1706/4885HSD17B10 2503/4885CYP11B1 385/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885HSD17B10 2503/4885CYP11B1 385/4885

“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.