SCHEMBL1127486

SCHEMBL1127486

COCCn1ccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.37
GLO1 Q04760 2/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 1/20 0.36
TBXAS1 P24557 1/20 0.36
LTA4H P09960 1/20 0.35
RAB9A P51151 1/20 0.34
ADRB2 P07550 1/20 0.34
MPO P05164 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL1127441 0.83 MAP4K4 (0.40) ALDH1A1HPGDGLATSHR
SCHEMBL1127117 0.81 KDM4E (0.39) ALDH1A1LMNAHPGDRAB9ACYP19A1
SCHEMBL1127130 0.81 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL28131241 0.81 ALDH1A1 (0.41) ALDH1A1LMNATDP1HPGDCNR1
SCHEMBL1126659 0.79 GLA (0.40) ALDH1A1TDP1CNR1CNR2GLA
SCHEMBL1126850 0.79 SLC18A3 (0.45) ALDH1A1HPGDCNR2RAB9A
SCHEMBL1126698 0.77 POLB (0.38) ALDH1A1HPGD
SCHEMBL1126680 0.77 KDM4E (0.41) ALDH1A1LMNAHPGDGLALTA4H
SCHEMBL1126872 0.76 CA12 (0.41) ALDH1A1CA2RAB9A
SCHEMBL1126768 0.75 HTR2A (0.41) LMNATSHRADRB2

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 219/4885LMNA 3641/4885TDP1 903/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885LMNA 3641/4885TDP1 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.