SCHEMBL88687

SCHEMBL88687

S=C1CSc2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
ALOX12 P18054 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.46
GAA P10253 5/20 0.46
NOX1 Q9Y5S8 4/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.46
CNR1 P21554 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL8853709 0.80 ALDH1A1 (0.67) ALDH1A1ALOX12HPGDMEN1KMT2A
SCHEMBL9628788 0.77 ALDH1A1 (0.62) ALDH1A1ALOX12HPGDMEN1KMT2A
SCHEMBL19497757 0.75 ALDH1A1 (0.60) ALDH1A1ALOX12HPGDMEN1KMT2A
SCHEMBL4811332 0.75 ALDH1A1 (0.60) ALDH1A1ALOX12HPGDMEN1KMT2A
SCHEMBL13323 0.75 ALDH1A1 (0.60) ALDH1A1ALOX12HPGDMEN1KMT2A
SCHEMBL7449747 0.75 ALDH1A1 (0.59) ALDH1A1ALOX12HPGDMAPTNOX1
SCHEMBL7450900 0.75 ALDH1A1 (0.59) ALDH1A1ALOX12HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL30648399 0.73 ALDH1A1 (0.58) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL7451860 0.73 ALDH1A1 (0.58) ALDH1A1ALOX12MEN1KMT2AMAPT
SCHEMBL11447889 0.73 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US claimed
JP-7138242-A None JP disclosed
EP-2947073-B1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2019-04-03 EP disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 US disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
EP-2947073-A2 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics Pty Ltd (AU) 2015-11-25 EP disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-9062076-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-06-23 US disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
JP-H07138242-A 3-THIOXO-1,4-BENZOTHIAZINE DERIVATIVE SANTEN PHARMACEUT CO LTD 1995-05-30 JP disclosed
US-4356302-A ANOREXIGENIC AGENTS G. D. SEARLE & CO. (US) 1982-10-26 US disclosed
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 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 (2 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 ALDH1A1 1066/4885ALOX12 1010/4885HPGD 612/4885
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 ALDH1A1 1216/4885ALOX12 217/4885HPGD 473/4885

“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.