SCHEMBL400161

SCHEMBL400161

c1ccc(CSc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
MAPT P10636 3/20 0.67
HSD17B10 Q99714 1/20 0.64
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 3/20 0.60
NFKB1 P19838 1/20 0.60
HTT P42858 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ALDH1A1 P00352 4/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
EHMT2 Q96KQ7 1/20 0.52
EHMT1 Q9H9B1 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HDAC1 Q13547 1/20 0.50

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
Bromide SCHEMBL27289520 0.98 POLB (0.68) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL11158130 0.85 POLB (0.58) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL315141 0.85 MAPT (0.59) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL19403521 0.85 RAB9A (0.67) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL5658909 0.85 MAPT (0.64) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL3182706 0.83 ALDH1A1 (0.62) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL315313 0.83 POLB (1.00) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL28006323 0.81 MAPT (0.59) POLBMAPTNPC1RAB9AKMT2A
SCHEMBL7004086 0.81 POLB (0.50) POLBMAPTHSD17B10NPC1RAB9A
SCHEMBL537743 0.80 EHMT2 (0.59) POLBMAPTHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350233-A Preparation method of aryl sulfonic acid compound 上海麦克林生化科技股份有限公司 2025-01-24 CN claimed
US-8669253-B2 Methods for treating glaucoma and macular degeneration DUKE UNIVERSITY (US) 2014-03-11 US claimed
US-20110009463-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US claimed
WO-2009051772-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2009-04-23 WO claimed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US claimed
US-20070249010-A1 Methods for treating glaucoma and macular degeneration DUKE UNIVERSITY (US) 2007-10-25 US claimed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US claimed
EP-1534279-A4 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY INC (US) 2006-11-08 EP claimed
EP-1534680-A4 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY INC (US) 2006-06-07 EP claimed
EP-1534279-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP claimed
EP-1534680-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP claimed
US-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use DEVELOPMENT PARTNERS, LLC 2005-01-06 US claimed
US-20040116425-A1 Prenylation inhibitors and methods of their synthesis and use X-CHEM, INC. 2004-06-17 US claimed
WO-2004016741-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO claimed
WO-2004016592-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO claimed
JP-7025852-A None JP disclosed
JP-59167571-A None JP disclosed
US-4370477-A ANTIULCER AGENT JOHN WYETH AND BROTHER LIMITED (GB) 1983-01-25 US disclosed
US-4304781-A Treatment of ulcers and hypertension JOHN WYETH & BROTHER LIMITED (GB) 1981-12-08 US disclosed
US-4050921-A Regulation of the natural growth or development of plants with 2-sulfinyl or 2-sulfonyl pyridine N-oxide compounds UNIROYAL INC. (US) 1977-09-27 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 (5 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-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use RCE1, GGPS1, FNTA POLB 2690/4885MAPT 3212/4885HSD17B10 1090/4885
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 POLB 4024/4885MAPT 1219/4885HSD17B10 1434/4885
US-20070249010-A1 Methods for treating glaucoma and macular degeneration RHOA, RHOT2, ROCK1 POLB 1782/4885MAPT 489/4885HSD17B10 1490/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA POLB 2690/4885MAPT 3212/4885HSD17B10 1090/4885
US-20110009463-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME FNTA, GGPS1, PTAR1 POLB 3766/4885MAPT 1870/4885HSD17B10 371/4885

“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.