SCHEMBL13612126

SCHEMBL13612126

C[C@@H](N)Cc1ccc(O)c(N=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
SLC6A2 P23975 2/20 0.50
PNMT P11086 2/20 0.46
HTR2A P28223 3/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.45
ALOX15 P16050 4/20 0.44
ALOX12 P18054 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL22852573 0.86 GABRA1 (0.42) TAAR1SLC6A2HTR2AHTR2BALOX15
SCHEMBL12532003 0.81 SLC7A5 (0.69) HTR2AALOX15KDM4ERECQLHIF1A
SCHEMBL10135632 0.81 SLC7A5 (0.69) HTR2AALOX15KDM4ERECQLHIF1A
SCHEMBL14640359 0.81 KDM4E (0.41) SLC6A2HTR2AHTR2BALOX15ALOX12
SCHEMBL29379558 0.78 ALOX15 (0.70) TAAR1SLC6A2PNMTHTR2AHTR2B
SCHEMBL633687 0.78 ALOX15 (0.70) TAAR1SLC6A2PNMTHTR2AHTR2B
SCHEMBL2562361 0.78 ALOX15 (0.70) TAAR1SLC6A2PNMTHTR2AHTR2B
SCHEMBL13660697 0.78 ALOX15 (0.70) TAAR1SLC6A2PNMTHTR2AHTR2B
SCHEMBL27339016 0.77 FTO (0.55) TAAR1SLC6A2PNMTHTR2AHTR2B
Hydrochloric Acid SCHEMBL28229133 0.77 SLC7A5 (0.44) HTR2AALOX15KDM4ERECQLHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 TAAR1 1370/4885SLC6A2 3996/4885PNMT 145/4885

“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.