SCHEMBL1991189

SCHEMBL1991189

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C5CCOCC5)cc(C)n4C)cc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RGS12 O14924 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
AKT1 P31749 1/20 0.38
GBA1 P04062 2/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 1/20 0.37
PDE7A Q13946 1/20 0.37
GLA P06280 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1644920 0.85 MAPT (0.42) MAPTSMN1; SMN2RGS12CYP1A2CYP3A4
SCHEMBL942149 0.85 ALDH1A1 (0.38) MAPTSMN1; SMN2RGS12CYP1A2CYP3A4
SCHEMBL1647637 0.83 MAPT (0.40) MAPTSMN1; SMN2RGS12CYP1A2CYP3A4
SCHEMBL1993791 0.81 TRPV1 (0.38) MAPTSMN1; SMN2RGS12CYP1A2CYP3A4
SCHEMBL30234731 0.81 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL1127284 0.81 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL1992685 0.80 MAPT (0.43) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL2232068 0.80 MAPT (0.39) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL1646827 0.79 RAB9A (0.37) MAPTSMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL1989247 0.79 MAPT (0.40) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2D6

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 12 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
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 MAPT 1696/4885SMN1; SMN2 2831/4885RGS12 3459/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885SMN1; SMN2 2831/4885RGS12 3459/4885

“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.