SCHEMBL5281894

SCHEMBL5281894

O=[N+]([O-])c1c(O)cccc1CBr

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
S100A4 P26447 1/20 0.39
TSHR P16473 3/20 0.36
ALOX15 P16050 2/20 0.36
IAPP P10997 1/20 0.36
MCL1 Q07820 1/20 0.36
SNCA P37840 1/20 0.35
HSPA5 P11021 1/20 0.34
AKR1B1 P15121 1/20 0.34
CTSB P07858 1/20 0.34
ALOX12 P18054 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 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
SCHEMBL2027979 0.86 ALDH1A1 (0.46) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL9491013 0.83 GPR35 (0.58) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL31014199 0.83 GPR35 (0.58) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL31395812 0.83 GPR35 (0.58) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL4963591 0.83 GPR35 (0.58) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL5929430 0.81 GPR35 (0.56) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL4274301 0.81 GPR35 (0.56) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL70533 0.80 GPR35 (0.75) GPR35ALDH1A1TDP1S100A4TSHR
SCHEMBL16310260 0.79 TDP1 (0.45) GPR35ALDH1A1TDP1TSHR
SCHEMBL1167739 0.79 TSHR (0.53) GPR35ALDH1A1TDP1S100A4TSHR

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-1504267-B1 SOLID-PHASE ASSISTED SPECTROSCOPIC AND SPECTROMETRIC ANALYSIS OF COMPLEX BIOPOLYMER MIXTURES PROTEOME FACTORY AG (DE) 2007-12-12 EP claimed
US-20070072179-A1 Solid-phase assisted spectroscopic and spectrometric analysis of complex biopolymer mixtures PROTEOME FACTORY AG (DE) 2007-03-29 US claimed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
US-9499528-B2 Class of near infrared molecular probes for biological applications THE UNIVERSITY OF AKRON (US) 2016-11-22 US disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
US-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS THE UNIVERSITY OF AKRON 2014-10-09 US disclosed
US-20070072179-A1 Solid-phase assisted spectroscopic and spectrometric analysis of complex biopolymer mixtures PROTEOME FACTORY AG (DE) 2007-03-29 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-20140303376-A1 CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS ZKSCAN2, ZRANB2, ZNF787 GPR35 2571/4885ALDH1A1 1141/4885TDP1 3397/4885

“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.