SCHEMBL246533

SCHEMBL246533

Cc1cc(=O)n2ccsc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 6/20 0.51
POLB P06746 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX12 P18054 1/20 0.47
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 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
SCHEMBL15131088 0.77 POLB (0.48) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL9215131 0.77 ALDH1A1 (0.62) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL10998360 0.75 ALDH1A1 (0.49) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL975597 0.75 POLB (0.46) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL6214885 0.74 CYP1A2 (0.51) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL10997380 0.74 TP53 (0.44) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL16636641 0.74 SMN1; SMN2 (0.53) CYP1A2TDP1ALDH1A1POLBL3MBTL1
SCHEMBL13461925 0.74 ALDH1A1 (0.62) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL16636611 0.73 POLB (0.57) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL10994393 0.71 NPC1 (0.67) TDP1ALDH1A1POLBL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122012625-A Viral vector production 牛津生物医学(英国)有限公司 2026-05-12 CN disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
CN-115667524-A Viral vector production 牛津生物医学(英国)有限公司 2023-01-31 CN disclosed
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-3141542-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2017-03-15 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
EP-0647231-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1997-08-27 EP disclosed
EP-0775135-A1 N-SUBSTITUTED 3-AZABICYCLO (3.2.0)HEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 EP disclosed
EP-0728136-A1 N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-08-28 EP disclosed
WO-1996004272-A1 N-SUBSTITUTED 3-AZABICYCLO (3.2.0)HEPTANE DERIVATIVES USEFUL AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
WO-1995013279-A1 N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-05-18 WO disclosed
EP-0647231-A1 N-SUBSTITUTED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1995-04-12 EP disclosed
WO-1994000458-A1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
US-4551457-A GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS FARMITALIA CARLO ERBA, S.P.A. (IT) 1985-11-05 US disclosed
US-4444773-A ANTIULCER, ANTISECRETORY, ANTIINFLAMMATORY FARMITALIA CARLO ERBA S.P.A. (IT) 1984-04-24 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 (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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 CYP1A2 792/4885TDP1 779/4885ALDH1A1 2255/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE CYP1A2 202/4885TDP1 834/4885ALDH1A1 300/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS CYP1A2 429/4885TDP1 1064/4885ALDH1A1 1200/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 CYP1A2 792/4885TDP1 779/4885ALDH1A1 2255/4885

“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.