SCHEMBL1127517

SCHEMBL1127517

COCCn1ccc(-c2cccs2)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAP3K7 O43318 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
F10 P00742 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPK1 P28482 3/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1127551 0.91 NPC1 (0.37) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1126674 0.89 LMNA (0.38) RAB9ANPC1MAPTALDH1A1POLB
SCHEMBL1988133 0.87 DRD2 (0.39) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1126559 0.87 MAPT (0.38) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL1126519 0.86 F10 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1126697 0.85 MALT1 (0.41) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL1126437 0.84 TSHR (0.37) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1126869 0.84 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1127950 0.82 MAPT (0.35) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1990466 0.82 NPC1 (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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
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

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 491/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 RAB9A 729/4885NPC1 491/4885SMN1; SMN2 2831/4885

“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.