SCHEMBL1101645

SCHEMBL1101645

O=C(O)c1scc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MCL1 Q07820 3/20 0.43
WDR5 P61964 1/20 0.42
LDHA P00338 1/20 0.41
CDC25B P30305 1/20 0.40
CNR2 P34972 1/20 0.39
FABP3 P05413 1/20 0.38
FABP2 P12104 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL7209479 0.85 CNR2 (0.40) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL5187759 0.82 LIMK1 (0.46) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL2339685 0.82 CNR2 (0.38) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL10349962 0.79 ALDH1A1 (0.41) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL11269245 0.78 MEN1 (0.34) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL28217713 0.77 KMT2A (0.38) ALDH1A1KDM4EMEN1CYP1A2HPGD
SCHEMBL11271520 0.77 LMNA (0.50) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL11270724 0.77 CYP1A2 (0.35) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL11270715 0.77 CYP1A2 (0.35) ALDH1A1NR4A1NR4A2NR4A3KDM4E
SCHEMBL27686851 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 EP disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 US disclosed
CN-105593714-A Long optical film, circularly polarizing plate provided with long optical film, and organic electroluminescent display device KONICA MINOLTA INC 2016-05-18 CN disclosed
CN-105143934-A Optical film, circularly polarizing plate, and organic electroluminescent display device KONICA MINOLTA INC 2015-12-09 CN disclosed
EP-1208091-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2002-05-29 EP disclosed
EP-1140897-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-04-03 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1140897-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2001062733-A1 ORTHO-SULFONAMIDO ARYL HYDROXAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2001-08-30 WO disclosed
WO-2001017982-A1 BENZOPHENONES AS INHIBITORS OF REVERSE TRANSCRIPTASE GLAXO GROUP LIMITED (GB) 2001-03-15 WO disclosed
WO-2000039115-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4745/4885NR4A1 3948/4885NR4A2 3748/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4726/4885NR4A1 4117/4885NR4A2 3842/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4737/4885NR4A1 4029/4885NR4A2 3762/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK ALDH1A1 4737/4885NR4A1 4029/4885NR4A2 3762/4885

“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.