SCHEMBL1127303

SCHEMBL1127303

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2cccc3ccccc23)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
NTRK1 P04629 2/20 0.44

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
SCHEMBL1126720 0.88 TNF (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1126783 0.87 RAB9A (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1127233 0.85 MEN1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL1126896 0.83 RAB9A (0.49) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL1989265 0.82 MAPK1 (0.46) ALDH1A1MEN1KMT2AKDM4ECYP2C19
SCHEMBL2229181 0.79 THRB (0.60) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1989252 0.77 MTNR1B (0.40) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL942068 0.76 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1126812 0.76 ALDH1A1 (0.48) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL1127545 0.75 RAB9A (0.50) ALDH1A1LMNANPC1RAB9AKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
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

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 CHRNB2 4879/4885CHRNB4 4878/4885CHRNA3 4820/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CHRNB2 4879/4885CHRNB4 4878/4885CHRNA3 4820/4885

“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.