SCHEMBL1126855

SCHEMBL1126855

COCCn1c(C)cc(-c2ccccc2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3ccc(C)cn3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
PANK3 Q9H999 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 5/20 0.39
NPY2R P49146 1/20 0.38
P2RY12 Q9H244 1/20 0.38
WNT3A P56704 1/20 0.38
DGAT1 O75907 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GFER P55789 1/20 0.37
LCK P06239 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 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
SCHEMBL15161945 0.91 HTR1A (0.44) KMT2AL3MBTL1MAPTALDH1A1GAA
SCHEMBL1991279 0.90 DRD4 (0.39) RAB9ANPC1KMT2AMAPTNPY2R
SCHEMBL1989903 0.89 DGAT1 (0.40) RAB9ANPC1KMT2AL3MBTL1MAPT
SCHEMBL1989407 0.88 PANK3 (0.44) RAB9ANPC1KMT2APANK3L3MBTL1
SCHEMBL1126471 0.88 LMNA (0.38) RAB9ANPC1KMT2AMAPTNPY2R
SCHEMBL1989483 0.87 KCNH2 (0.41) RAB9ANPC1KMT2AMAPTNPY2R
SCHEMBL1996541 0.86 REV1 (0.40) KMT2AMAPTNPY2RALDH1A1POLB
SCHEMBL1993424 0.86 SLC2A1 (0.37) RAB9ANPC1KMT2AL3MBTL1MAPT
SCHEMBL1126600 0.85 MAPT (0.38) RAB9ANPC1KMT2AMAPTNPY2R
SCHEMBL1990333 0.85 MAPKAPK2 (0.41) RAB9ANPC1MAPTNPY2RALDH1A1

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 8 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-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 RAB9A 729/4885NPC1 491/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885KMT2A 3996/4885

“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.