SCHEMBL1127015

SCHEMBL1127015

Cc1cc(-c2ccccc2)cn1CCOc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
LTA4H P09960 3/20 0.46
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.41
PTPN7 P35236 1/20 0.41
KCNA3 P22001 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1126990 0.84 CNR1 (0.45) TSHRALDH1A1RECQL
SCHEMBL1126844 0.81 KDM4E (0.46) RAB9ANPC1TSHRALDH1A1MAPK1
SCHEMBL1127040 0.80 ALDH1A1 (0.38) RAB9ANPC1TSHRALDH1A1MAPK1
SCHEMBL1126929 0.78 TYR (0.46) TSHRALDH1A1
SCHEMBL1127089 0.78 GLO1 (0.42) RAB9ANPC1ALDH1A1MAPK1
SCHEMBL1127207 0.77 GLO1 (0.39) ALDH1A1MAPK1MAPT
SCHEMBL1127073 0.77 BRD4 (0.42) ALDH1A1
SCHEMBL1126694 0.77 BRD4 (0.42) ALDH1A1
SCHEMBL1127094 0.76 TYR (0.49) RAB9ANPC1TSHRALDH1A1
SCHEMBL1126628 0.75 CCNC (0.46) L3MBTL1

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 RAB9A 729/4885NPC1 491/4885LTA4H 2697/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885LTA4H 2697/4885

“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.