SCHEMBL1126876

SCHEMBL1126876

Cc1cc(C)nc(OCCNc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
HTT P42858 4/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
JAK2 O60674 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43
GLA P06280 2/20 0.42
S1PR4 O95977 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL942108 0.82 HTT (0.52) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL1987466 0.81 F2 (0.40) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL941923 0.80 MAPT (0.53) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL1646967 0.78 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL1647801 0.76 MAPT (0.50) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL1993805 0.75 MAPT (0.45) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL10805478 0.73 MAPT (0.58) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL3921914 0.72 MAPT (0.61) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL4951791 0.72 MAPT (0.56) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL1645593 0.71 DRD2 (0.52) MAPTKMT2AMEN1ALDH1A1GAA

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 MAPT 1696/4885KMT2A 3996/4885MEN1 77/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885KMT2A 3996/4885MEN1 77/4885

“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.