SCHEMBL2591899

SCHEMBL2591899

CSc1cc(Br)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CCR2 P41597 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
CYP2A6 P11509 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALOX15 P16050 1/20 0.31
AHR P35869 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15834447 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1RAPGEF4CYP2A6ALOX15
SCHEMBL30168170 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1TAS1R3TAS1R1CCR2
SCHEMBL2781542 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1TAS1R3TAS1R1CCR2
SCHEMBL20801053 0.81 ALDH1A1 (0.36) ALDH1A1MAPK1RAPGEF4CYP2A6ALOX15
SCHEMBL3107273 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1CCR2SLC6A4HRH3
SCHEMBL8587844 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1TAS1R3TAS1R1CCR2
SCHEMBL21415078 0.79 ALDH1A1 (0.35) ALDH1A1MAPK1RAPGEF4CYP2A6NPC1
SCHEMBL3376143 0.77 MAPT (0.46) ALDH1A1RAPGEF4CYP2A6NPC1RAB9A
SCHEMBL2874105 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1CCR2SLC6A4NPC1
SCHEMBL5946318 0.74 KDM4E (0.41) ALDH1A1MAPK1SLC6A4NPC1RAB9A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021021951-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY (US) 2021-02-04 WO disclosed
EP-3656781-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES The Scripps Research Institute (US) 2020-05-27 EP disclosed
US-10626138-B2 Method for the site-specific enzymatic labelling of nucleic acids in vitro by incorporation of unnatural nucleotides THE SCRIPPS RESEARCH INSTITUTE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2020-04-21 US disclosed
US-20200040027-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE 2020-02-06 US disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES Synthorx, Inc. (US) 2016-06-16 US disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP disclosed
EP-0527036-B1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-11-06 EP disclosed
EP-0496631-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
EP-0527036-A1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-02-10 EP disclosed
EP-0496631-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 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 (4 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-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT ALDH1A1 2175/4885MAPK1 4269/4885TAS1R3 4198/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO ALDH1A1 109/4885MAPK1 1402/4885TAS1R3 2394/4885
US-20200040027-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT ALDH1A1 2175/4885MAPK1 4269/4885TAS1R3 4198/4885
US-10626138-B2 Method for the site-specific enzymatic labelling of nucleic acids in vitro by incorporation of unnatural nucleotides RNGTT, POLM, POLRMT ALDH1A1 2129/4885MAPK1 4395/4885TAS1R3 4163/4885

“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.