SCHEMBL1905930

SCHEMBL1905930

COC(=O)c1cccnc1C=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 5/20 0.46
ATM Q13315 1/20 0.46
MAP2K1 Q02750 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
CAPN1 P07384 1/20 0.45
CTSB P07858 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL1905928 1.00 HSD17B10 (0.59) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL19810725 0.87 SLC6A3 (0.47) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL17978184 0.87 SLC6A3 (0.47) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL9000294 0.86 TDP1 (0.51) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL1905601 0.84 KDM4E (0.52) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL1905604 0.84 KDM4E (0.52) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL4469339 0.81 SIRT2 (0.50) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL4469336 0.81 SIRT2 (0.50) HSD17B10CYP1A2CYP2C19TDP1PKM
SCHEMBL4556787 0.79 TDP1 (0.54) HSD17B10TDP1PKML3MBTL1POLB
SCHEMBL4061684 0.78 NPC1 (0.54) CYP1A2CYP2C19PKML3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335726-B1 MODIFIED PRODRUG FORMS OF AP NANOTHERAPEUTICS INC (US) 2011-05-25 EP disclosed
CN-100544718-C Use of compounds in the preparation of antiviral agents VION PHARMACEUTICALS INC YALE (US) 2009-09-30 CN disclosed
EP-1335726-A4 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-20050261251-A1 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-11-24 US disclosed
CN-1224388-C Modified prodrug forms of ap/amp VION PHARMACEUTICALS INC (US) 2005-10-26 CN disclosed
US-6911460-B2 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-06-28 US disclosed
CN-1503669-A Antiviral agents and methods of treating viral infections ά�¶�ҩƷ��˾ 2004-06-09 CN disclosed
CN-1468102-A Modified prodrug forms of ap/amp ά�¶�ҩƷ��˾ 2004-01-14 CN disclosed
EP-1335726-A1 MODIFIED PRODRUG FORMS OF AP/AMP Vion Pharmaceuticals, Inc. (US) 2003-08-20 EP disclosed
US-20020188011-A1 Antiviral agents and methods of treating viral infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-12 US disclosed
US-20020119955-A1 Modified prodrug forms of AP/AMP NANOTHERAPEUTICS, INC. 2002-08-29 US disclosed
WO-2002030424-A1 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS, INC. (US) 2002-04-18 WO disclosed
EP-0277661-B1 IMIDAZOPYRROLOPYRIDINES AND CONDENSED DERIVATIVES THEREOF USEFUL IN THE PREPARATION OF HERBICIDAL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1992-09-16 EP disclosed
EP-0133309-B1 HERBICIDES AND METHOD FOR THE PREPARATION THEREOF AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
EP-0277661-A1 Imidazopyrrolopyridines and condensed derivatives thereof useful in the preparation of herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1988-08-10 EP disclosed
US-4701208-A Dihydroimidazopyrrolopyridine, quinoline, thieno- and furo[2,3-b]pyridine, dihydrothieno- and furo[2,3-b]-pyridine, thieno- and furo[3,2-b]pyridine and dihydrothieno- and furo[3,2-b]pyridine herbicides and method for preparation thereof AMERICAN CYANAMID COMPANY (US) 1987-10-20 US disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133309-A1 Herbicides and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1985-02-20 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 (3 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-20020188011-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP HSD17B10 3386/4885CYP1A2 1144/4885CYP2C19 1997/4885
US-20020119955-A1 Modified prodrug forms of AP/AMP AP3B1, AP3D1, AP3M1 HSD17B10 2955/4885CYP1A2 2512/4885CYP2C19 2588/4885
US-20050261251-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP HSD17B10 3386/4885CYP1A2 1144/4885CYP2C19 1997/4885

“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.