SCHEMBL8552971

SCHEMBL8552971

Cc1cccc(C(=O)Nc2nc3ccccc3s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 1.00
NPC1 O15118 8/20 0.72
RAB9A P51151 8/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
DHODH Q02127 2/20 0.72
RXFP1 Q9HBX9 1/20 0.69
TOP1 P11387 2/20 0.67
MAPT P10636 2/20 0.65
TP53 P04637 2/20 0.65
KDM4E B2RXH2 3/20 0.65
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62

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
SCHEMBL14985591 0.90 SCD (0.81) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4915124 0.85 SCD (0.74) SCDNPC1RAB9ASMN1; SMN2RXFP1
SCHEMBL4910843 0.85 NPC1 (0.78) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL3053529 0.84 NPC1 (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL1354240 0.84 NPC1 (0.74) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL30582282 0.84 NPC1 (0.74) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4919087 0.84 SCD (0.73) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL7349336 0.84 SCD (0.73) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4920234 0.84 SCD (0.73) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4909148 0.84 NPC1 (0.74) SCDNPC1RAB9AMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
CN-116283827-A Preparation method of N-acyl 2-aminobenzothiazole and derivatives thereof 重庆医科大学 2023-06-23 CN disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
EP-3041470-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY Board Of Regents Of the University Of Texas System (US) 2016-07-13 EP disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
US-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2015-01-08 US disclosed
EP-2758384-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Yuhan Corporation (KR) 2014-07-30 EP disclosed
WO-2013043001-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OR ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUHAN CORPORATION (KR) 2013-03-28 WO disclosed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 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-20150011528-A1 PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ILK, PKMYT1, PLAUR SCD 4628/4885NPC1 1984/4885RAB9A 916/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 SCD 4/4885NPC1 840/4885RAB9A 4781/4885

“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.