SCHEMBL8944627

SCHEMBL8944627

O=[N+]([O-])c1cccc(O)c1-c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPT P10636 4/20 0.53
CASP6 P55212 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.49
GPR35 Q9HC97 2/20 0.49
CTSB P07858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46

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
SCHEMBL11597781 0.85 ALDH1A1 (0.65) ALDH1A1MAPTCASP6POLBAPEX1
SCHEMBL28735028 0.83 TDP1 (0.64) ALDH1A1MAPTCASP6POLBAPEX1
SCHEMBL11354420 0.82 MAPT (0.51) ALDH1A1MAPTCASP6POLBAPEX1
SCHEMBL17998719 0.82 ALDH1A1 (0.59) ALDH1A1MAPTCASP6POLBAPEX1
SCHEMBL31219526 0.82 ALDH1A1 (0.59) ALDH1A1MAPTCASP6POLBAPEX1
1-Naphthol SCHEMBL27913296 0.82 ALDH1A1 (0.69) ALDH1A1MAPTCASP6GPR35CTSB
SCHEMBL28981703 0.81 ALDH1A1 (0.59) ALDH1A1MAPTCASP6S100A4PTPRC
SCHEMBL27009697 0.81 ALDH1A1 (0.59) ALDH1A1MAPTCASP6S100A4PTPRC
SCHEMBL8944624 0.81 MAPT (0.53) ALDH1A1MAPTCASP6POLBAPEX1
SCHEMBL31725 0.80 ALDH1A1 (0.71) ALDH1A1MAPTCASP6S100A4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
US-5589100-A LIQUID CRYSTAL DISPLAY SUBSTRATES WITH ARYLAZO OR POLYARYLAZO DYES HERCULES INCORPORATED (US) 1996-12-31 US disclosed
US-5326865-A Arylazo and poly(arylazo) dyes having at least one core radical selected from naphthyl or anthracyl and having at least one 2,3-dihydro-1,3-dialkyl perimidine substituent HERCULES INCORPORATED (US) 1994-07-05 US disclosed
EP-0460504-B1 Dichroic azo dyes HERCULES INC (US) 1994-04-27 EP disclosed
EP-0460504-A1 Dichroic azo dyes HERCULES INCORPORATED (US) 1991-12-11 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A1 85/4885MAPT 1937/4885CASP6 2216/4885

“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.