SCHEMBL1127461

SCHEMBL1127461

c1ccc(-c2ccn3c2CCCCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 5/20 0.40
HPGD P15428 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL6475768 0.93 PTGS2 (0.48) PTGS2PTGS1ALDH1A1TP53TSHR
SCHEMBL1126652 0.75 TSHR (0.37) PTGS2ALDH1A1TP53TSHRMAPK1
SCHEMBL7545093 0.74 PTGS2 (0.35) PTGS2PTGS1ALDH1A1TP53ALOX5
SCHEMBL23495478 0.71 CYP2D6 (0.55) ALDH1A1HPGDCYP2D6GAA
SCHEMBL9532243 0.69 PTGS2 (0.75) PTGS2PTGS1ALDH1A1ALOX5WDR5
SCHEMBL11192535 0.66 WDR5 (0.56) PTGS2ALDH1A1TP53ALOX5HPGD
SCHEMBL30378215 0.64 CYP11B1 (0.65) PTGS2PTGS1ALDH1A1ALOX5WDR5
SCHEMBL1988551 0.64 KDM4E (0.44) ALDH1A1MAPK1HPGDCYP2D6CYP2C19
SCHEMBL1777450 0.63 HSD17B10 (0.41) ALDH1A1TP53TSHR
SCHEMBL16800381 0.62

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 PTGS2 4123/4885PTGS1 1941/4885ALDH1A1 219/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PTGS2 4123/4885PTGS1 1941/4885ALDH1A1 219/4885

“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.