SCHEMBL1338837

SCHEMBL1338837

NC1=Nc2nc[nH]c2C(=O)[N]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATIC P31939 1/20 0.31
PNP P00491 2/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30

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
SCHEMBL7857549 0.69 ALDH1A1 (0.31) ALDH1A1POLBRXFP1PNPABL1
SCHEMBL7011289 0.60 ATIC (0.36) ALDH1A1POLBRXFP1ATIC
SCHEMBL662729 0.60 GDA (0.40) ALDH1A1POLBRXFP1ATIC
SCHEMBL1072291 0.58 IDO1 (0.36)
SCHEMBL4455591 0.57
SCHEMBL5165263 0.56 ALDH1A1 (0.44) ALDH1A1POLBRXFP1ATIC
SCHEMBL13735762 0.56 ALDH1A1 (0.65) ALDH1A1POLBRXFP1ATIC
SCHEMBL8011952 0.55 GDA (0.38) ALDH1A1POLBRXFP1ATIC
SCHEMBL14793621 0.54 HPGD (0.38) ALDH1A1POLB
SCHEMBL8009805 0.54 ATIC (0.34) ALDH1A1POLBRXFP1ATICPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744236-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-29 US disclosed
US-9688708-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20160176907-A1 Photolabile Compounds UNIVERSIDAD DE BUENOS AIRES (AR) 2016-06-23 US disclosed
US-9273032-B2 Photolabile compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-03-01 US disclosed
US-20150032045-A1 PHOTOLABILE COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-29 US disclosed
WO-2013096836-A1 PHOTOLABILE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-06-27 WO disclosed
US-20120220922-A1 PHOTOLABILE COMPOUNDS UNIVERSIDAD DE BUENOS AIRES (AR) 2012-08-30 US disclosed
US-20120116287-A1 PHOTOLABILE COMPOUNDS UNIVERSIDAD DE BUENOS AIRES (AR) 2012-05-10 US disclosed
EP-2445917-A1 PHOTOLABILE COMPOUNDS The Trustees of Columbia University in the City of New York (US) 2012-05-02 EP disclosed
US-8063216-B2 have a photoreleasable ligand, which can be biologically active, and which is photoreleased from the compound upon exposure to light THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-22 US disclosed
WO-2010151879-A1 PHOTOLABILE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-12-29 WO disclosed
US-20080176940-A1 Photolabile Compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-07-24 US disclosed
WO-2005065192-A2 PHOTOLABILE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-07-21 WO disclosed
EP-0845476-B1 Synthetic catalytic oligonucleotides EUROPAEISCHES LAB FUER (DE) 2001-03-14 EP disclosed
EP-1061085-A2 Synthetic catalytic oligonucleotides EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (EMBL) (DE) 2000-12-20 EP disclosed
EP-0519463-B1 Synthetic, catalytic oligonucleotides EUROP LAB MOLEKULARBIOLOG (DE) 1998-10-21 EP disclosed
EP-0845476-A2 Synthetic catalytic oligonucleotides EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (EMBL) (DE) 1998-06-03 EP disclosed
US-5334711-A To cleave a nucleic acid target sequence; double-stranded; increased stability; reduced protein interaction; viricides; AIDS EUROPAISCHES LABORATORIUM FUR MOLEKULARBIOLOGIE (EMBL) (DE) 1994-08-02 US disclosed
EP-0519463-A1 Synthetic, catalytic oligonucleotides EUROPÄISCHES LABORATORIUM FÜR MOLEKULARBIOLOGIE (EMBL) (DE) 1992-12-23 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 (5 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-20150032045-A1 PHOTOLABILE COMPOUNDS VIP, EPCAM, L1CAM ALDH1A1 94/4885POLB 1554/4885RXFP1 2315/4885
US-20160176907-A1 Photolabile Compounds HMBS, CASP3, CRY1 ALDH1A1 94/4885POLB 1005/4885RXFP1 2333/4885
US-20120220922-A1 PHOTOLABILE COMPOUNDS VIP, EPCAM, L1CAM ALDH1A1 94/4885POLB 1554/4885RXFP1 2315/4885
US-20120116287-A1 PHOTOLABILE COMPOUNDS HMBS, CASP3, CRY1 ALDH1A1 94/4885POLB 1005/4885RXFP1 2333/4885
US-20080176940-A1 Photolabile Compounds HMBS, CASP3, CRY1 ALDH1A1 94/4885POLB 1005/4885RXFP1 2333/4885

“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.