SCHEMBL5610907

SCHEMBL5610907

Cc1ccc(C=[N+]([O-])c2ccc(-c3nccs3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
ADRB2 P07550 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RECQL P46063 2/20 0.36
PKM P14618 1/20 0.36
ESR1 P03372 1/20 0.35
G6PD P11413 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMPD3 Q9NY59 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 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
SCHEMBL5611144 0.86 PDPK1 (0.56) PDPK1ADRB2LOXL2ALDH1A1MAPT
SCHEMBL5610600 0.86 PDPK1 (0.56) PDPK1ADRB2LOXL2ALDH1A1MAPT
SCHEMBL5610915 0.86 PDPK1 (0.56) PDPK1ADRB2LOXL2ALDH1A1MAPT
SCHEMBL5610828 0.86 RAB9A (0.47) PDPK1ADRB2LOXL2ALDH1A1MAPT
SCHEMBL5610854 0.80 PDPK1 (0.49) PDPK1ADRB2LOXL2ESR1CYP2A6
SCHEMBL558643 0.79 PDPK1 (0.63) PDPK1ADRB2LOXL2ALDH1A1NPC1
Water SCHEMBL20550178 0.77 ADRB2 (0.62) PDPK1ADRB2LOXL2ALDH1A1NPC1
SCHEMBL11404254 0.77 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL14777410 0.73 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL14777411 0.73 ALDH1A1 (0.54) ALDH1A1MAPTNPC1RAB9AHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101084202-A Polymer-filler coupling additives BRIDGESTONE CORP (JP) 2007-12-05 CN claimed
EP-1802593-A2 POLYMER-FILLER COUPLING ADDITIVES Bridgestone Corporation (JP) 2007-07-04 EP claimed
US-7186845-B2 Polymer-filler coupling additives BRIDGESTONE CORPORATION (JP) 2007-03-06 US claimed
WO-2006045088-A2 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORPORATION (JP) 2006-04-27 WO claimed
US-20060084730-A1 Polymer-filler coupling additives BRIDGESTONE CORPORATION (JP) 2006-04-20 US claimed
CN-101084202-A Polymer-filler coupling additives BRIDGESTONE CORP (JP) 2007-12-05 CN disclosed
EP-1802593-A2 POLYMER-FILLER COUPLING ADDITIVES Bridgestone Corporation (JP) 2007-07-04 EP disclosed
US-7186845-B2 Polymer-filler coupling additives BRIDGESTONE CORPORATION (JP) 2007-03-06 US disclosed
WO-2006045088-A2 POLYMER-FILLER COUPLING ADDITIVES BRIDGESTONE CORPORATION (JP) 2006-04-27 WO disclosed
US-20060084730-A1 Polymer-filler coupling additives BRIDGESTONE CORPORATION (JP) 2006-04-20 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 (1 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-20060084730-A1 Polymer-filler coupling additives AAAS, RECQL, PHAX PDPK1 3368/4885ADRB2 1732/4885LOXL2 1379/4885

“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.