SCHEMBL4929327

SCHEMBL4929327

Cc1cc(=O)oc2ccc(O)c([N+](=O)[O-])c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.64
DYRK1A Q13627 1/20 0.64
PIM3 Q86V86 1/20 0.64
PIM2 Q9P1W9 1/20 0.64
MCL1 Q07820 6/20 0.63
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 3/20 0.50
CYP3A4 P08684 3/20 0.50
CA9 Q16790 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 5/20 0.45
AKR1B1 P15121 2/20 0.45
THRB P10828 1/20 0.45
ALB P02768 1/20 0.45
HTT P42858 2/20 0.43
GAA P10253 5/20 0.43
MAOB P27338 3/20 0.43

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
SCHEMBL4931319 0.81 ALDH1A1 (0.52) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL9996019 0.78 DYRK1A (1.00) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL981095 0.78 MCL1 (1.00) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL4927734 0.75 PIM1 (0.42) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL4922942 0.72 ALPL (0.44) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL4930754 0.70 ALDH1A1 (0.64) MCL1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL2881308 0.69 ALDH1A1 (0.56) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL4924117 0.69 ALDH1A1 (0.56) PIM1DYRK1APIM3PIM2MCL1
SCHEMBL4363348 0.68 GPR35 (0.60) MCL1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL6858240 0.68 MCL1 (0.49) PIM1DYRK1APIM3PIM2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT PIM1 3176/4885DYRK1A 863/4885PIM3 2958/4885

“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.