SCHEMBL1126659

SCHEMBL1126659

COCCn1ccc(-c2ccccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 2/20 0.37
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
IL1B P01584 1/20 0.35
P2RX7 Q99572 1/20 0.35
CNR2 P34972 5/20 0.35
NPC1 O15118 1/20 0.35

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 0.79 ALDH1A1 (0.42) GLATDP1ALDH1A1CNR2RAB9A
SCHEMBL1127441 0.76 MAP4K4 (0.40) GLAKMT2AALDH1A1ALOX15HSD17B10
SCHEMBL1127130 0.75 ALDH1A1 (0.41) KMT2AALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL15924925 0.75 CREBBP (0.50) GLAKMT2ATDP1HSD11B1
SCHEMBL27860755 0.73 CYP2A6 (0.50) CYP2A6ALDH1A1HSD11B1CNR2NPC1
SCHEMBL1988904 0.71 GLA (0.38) GLAKMT2ATDP1CYP2A6HSD11B1
SCHEMBL1126680 0.71 KDM4E (0.41) GLAKMT2AALDH1A1MAPK1HSD17B10
SCHEMBL1988373 0.69 CNR1 (0.44) GLAKMT2ATDP1ALDH1A1ALOX15
SCHEMBL28131241 0.69 ALDH1A1 (0.41) GLAKMT2ATDP1ALDH1A1MAPK1
SCHEMBL1126698 0.68 POLB (0.38) CYP2A6ALDH1A1HSD17B10KDM4E

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 8 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-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 GLA 1153/4885KMT2A 3996/4885TDP1 903/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GLA 1153/4885KMT2A 3996/4885TDP1 903/4885

“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.