SCHEMBL1126953

SCHEMBL1126953

O=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 2/20 0.51
SIRT6 Q8N6T7 2/20 0.51
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB1 P08588 1/20 0.48

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
SCHEMBL1646512 0.84 SIRT6 (0.65) MAPTALDH1A1LMNAPOLBSIRT6
SCHEMBL1019958 0.81 MEN1 (0.67) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL30270221 0.81 ALDH1A1 (0.47) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL20644619 0.81 ALDH1A1 (0.47) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22495422 0.78 MEN1 (0.62) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22495404 0.78 MEN1 (0.62) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL8931734 0.78 MEN1 (0.62) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22465858 0.78 KMT2A (1.00) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL3440078 0.77 MEN1 (0.77) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL15271381 0.76 SIRT6 (0.81) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 77/4885KMT2A 3996/4885ATM 4142/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885ATM 4142/4885

“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.