SCHEMBL1126991

SCHEMBL1126991

O=C(O)Cn1ccc(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.61
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
IDH1 O75874 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL13692017 0.85 AKR1B1 (0.45) AKR1B1KDM4ENPC1NR2F2RAB9A
SCHEMBL1126796 0.81 CNR2 (0.46) AKR1B1KDM4ENPC1NR2F2RAB9A
SCHEMBL1126874 0.79 CA12 (0.52) KDM4ERAB9AL3MBTL1GAATSHR
SCHEMBL10911282 0.78 IDH1 (0.38) AKR1B1KDM4ENPC1NR2F2RAB9A
Biphenyl SCHEMBL27824074 0.77 ALDH1A1 (0.76) ALDH1A1CYP19A1
SCHEMBL1127048 0.76 AKR1B1 (0.47) AKR1B1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL5870352 0.75 NTSR1 (0.40) AKR1B1KDM4ENPC1NR2F2RAB9A
SCHEMBL1126872 0.74 CA12 (0.41) KDM4ENPC1NR2F2RAB9AALDH1A1
SCHEMBL12605596 0.74 ALDH1A1 (0.40) KDM4ENPC1NR2F2RAB9AL3MBTL1
SCHEMBL16867182 0.73 IDH1 (0.36) AKR1B1KDM4ENPC1NR2F2RAB9A

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 AKR1B1 48/4885KDM4E 1706/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AKR1B1 48/4885KDM4E 1706/4885NPC1 491/4885

“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.