SCHEMBL1126449

SCHEMBL1126449

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4ccc(C)[nH]4)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 4/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
PHGDH O43175 2/20 0.37
KMT2A Q03164 4/20 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
SCHEMBL1126428 0.80 CASR (0.37) MAPTALDH1A1SMN1; SMN2USP2NPSR1
SCHEMBL1987967 0.80 MAPT (0.41) MAPTNPC1ALDH1A1USP2GAA
SCHEMBL1127189 0.77 CASR (0.35) MAPTALDH1A1SMN1; SMN2USP2NPSR1
SCHEMBL1126421 0.77 ALDH1A1 (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1126056 0.77 LMNA (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1126361 0.77 MAPT (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4444883 0.76 ALDH1A1 (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1993791 0.76 TRPV1 (0.38) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1127598 0.76 DRD4 (0.39) MAPTALDH1A1SMN1; SMN2USP2NPSR1
SCHEMBL1127284 0.75 MAPT (0.42) MAPTNPC1RAB9AALDH1A1USP2

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 16 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
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP 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
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 1696/4885NPC1 491/4885RAB9A 729/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885NPC1 491/4885RAB9A 729/4885

“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.