SCHEMBL8206319

SCHEMBL8206319

O=C1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CES1 P23141 2/20 0.52
BCHE P06276 1/20 0.52
METAP1 P53582 2/20 0.52
S100A4 P26447 1/20 0.50
TDP2 O95551 2/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
PTPRC P08575 1/20 0.44
CHEK2 O96017 1/20 0.43
ROS1 P08922 1/20 0.43
MARK3 P27448 1/20 0.43
LTK P29376 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL10057541 0.87 TDP1 (0.63) TDP1L3MBTL1CES1METAP1S100A4
SCHEMBL2370367 0.87 METAP1 (0.50) TDP1L3MBTL1CES1BCHEMETAP1
SCHEMBL30648614 0.82 METAP1 (0.50) TDP1L3MBTL1CES1BCHEMETAP1
SCHEMBL29120739 0.82 METAP1 (0.50) TDP1L3MBTL1CES1BCHEMETAP1
SCHEMBL27761880 0.82 METAP1 (0.65) TDP1L3MBTL1CES1METAP1S100A4
SCHEMBL31073 0.80 METAP1 (0.79) TDP1L3MBTL1CES1METAP1S100A4
SCHEMBL25920001 0.80 TDP1 (0.51) TDP1L3MBTL1CES1METAP1S100A4
SCHEMBL30960433 0.79 TDP1 (0.54) TDP1L3MBTL1CES1BCHEMETAP1
SCHEMBL394145 0.79 TDP1 (0.80) TDP1L3MBTL1CES1BCHEMETAP1
SCHEMBL4608851 0.79 TDP1 (0.54) TDP1L3MBTL1CES1BCHEMETAP1

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-6127189-A CONTACTING WITH A 1,2-INDANEDIONE DERIVATIVE, MEASURING ABSORBANCE OR FLUORESCENCE OF PRODUCT FORMED, AND COMPARING TO STANDARDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-10-03 US claimed
WO-1998020344-A1 COMPOSITIONS AND METHODS FOR DETECTION OF AN AMINE COMPOUND THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-05-14 WO claimed
US-11643414-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-05-09 US disclosed
US-9827226-B2 Substituted 5-(3,5-dimethylisoxazol-4-yl)indoline-2-ones BEIGENE, LTD. (KY) 2017-11-28 US disclosed
US-20170027912-A1 SUBSTITUTED 5-(3,5-DIMETHYLISOXAZOL-4-YL)INDOLINE-2-ONES BEONE MEDICINES I GMBH (CH) 2017-02-02 US disclosed
US-9393232-B2 Substituted 5-(3,5-dimethylisoxazol-4-yl)indoline-2-ones BEIGENE, LTD. (KY) 2016-07-19 US disclosed
US-20160030395-A1 SUBSTITUTED 5-(3,5-DIMETHYLISOXAZOL-4-YL)INDOLINE-2-ONES BEONE MEDICINES I GMBH (CH) 2016-02-04 US disclosed
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8703798-B2 Antifungal and antiparasitic indoloquinoline derivatives FLORIDA A&M UNIVERSITY (US) 2014-04-22 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives FLORIDA A&M UNIVERSITY (US) 2012-06-21 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-7374580-B2 Dyeing compositions comprising A 1,2-indandione derivative L'OREAL S.A. (FR) 2008-05-20 US disclosed
US-7374580-B2 Dyeing compositions comprising A 1,2-indandione derivative L'OREAL S.A. (FR) 2008-05-20 US disclosed
US-6127189-A CONTACTING WITH A 1,2-INDANEDIONE DERIVATIVE, MEASURING ABSORBANCE OR FLUORESCENCE OF PRODUCT FORMED, AND COMPARING TO STANDARDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-10-03 US disclosed
WO-1998020344-A1 COMPOSITIONS AND METHODS FOR DETECTION OF AN AMINE COMPOUND THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-05-14 WO 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 (8 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-20170027912-A1 SUBSTITUTED 5-(3,5-DIMETHYLISOXAZOL-4-YL)INDOLINE-2-ONES BRD4, BRPF3, BRD3 TDP1 1354/4885L3MBTL1 1856/4885CES1 3008/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 TDP1 4284/4885L3MBTL1 3448/4885CES1 352/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 TDP1 4237/4885L3MBTL1 3523/4885CES1 281/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 TDP1 4237/4885L3MBTL1 3523/4885CES1 281/4885
US-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives IDO1, IDO2, IMMT TDP1 2495/4885L3MBTL1 238/4885CES1 1019/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 TDP1 4237/4885L3MBTL1 3523/4885CES1 281/4885
US-11643414-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, PIEZO1 TDP1 1988/4885L3MBTL1 2364/4885CES1 4027/4885
US-20160030395-A1 SUBSTITUTED 5-(3,5-DIMETHYLISOXAZOL-4-YL)INDOLINE-2-ONES BRD4, BRPF3, BRD3 TDP1 1354/4885L3MBTL1 1856/4885CES1 3008/4885

“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.