SCHEMBL1126763

SCHEMBL1126763

O=C1CCCCn2cc(-c3ccccc3)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 3/20 0.39
BRD4 O60885 1/20 0.39
WDR5 P61964 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLO1 Q04760 2/20 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
SCHEMBL1126634 0.88 NPC1 (0.59) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14249416 0.77 GRM5 (0.45) KDM4EMAPTPKMLMNAALDH1A1
SCHEMBL942428 0.76 KDM4E (0.45) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL1988551 0.75 KDM4E (0.44) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14249410 0.73
Biphenyl SCHEMBL27725627 0.72 ALDH1A1 (0.50) KDM4ENPC1MAPTSMN1; SMN2LMNA
SCHEMBL14249175 0.72 GRM5 (0.46) KDM4EMAPTPKMLMNAALDH1A1
SCHEMBL1126871 0.70 WDR5 (0.47) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL14249484 0.68 ACHE (0.41) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1126652 0.68 TSHR (0.37) KDM4ENPC1RAB9AMAPTSMN1; SMN2

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 KDM4E 1706/4885NPC1 491/4885RAB9A 729/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KDM4E 1706/4885NPC1 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.