SCHEMBL108180

SCHEMBL108180

CC(C)(C)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.58
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2A P08913 1/20 0.48
FBP1 P09467 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
MC5R P33032 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR2 P41597 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL16047096 0.89 CASR (0.50) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL227210 0.88 CASR (0.58) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL7544923 0.84 CASR (0.64) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL24496148 0.81 CASR (0.53) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL21706357 0.81 CASR (0.53) CASRTNFNOD1FBP1
SCHEMBL12545796 0.81 CASR (0.53) CASRTNFNOD1FBP1L3MBTL1
SCHEMBL5720317 0.81 CASR (0.51) CASRALDH1A1TDP1ADRA2AFBP1
SCHEMBL9052764 0.80 CASR (0.51) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL9037002 0.80 THRB (0.51) CASRTNFNOD1ALDH1A1TDP1
SCHEMBL1417435 0.80 CASR (0.51) CASRTNFNOD1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317374-A A kind of special vehicle solid wheel rubber material and preparation method thereof based on modified chopped carbon fiber 青岛科技大学 2019-10-11 CN claimed
JP-61186372-A None JP disclosed
CN-119144088-A Rubber processing modified masterbatch, vulcanized rubber, preparation methods thereof and application of rubber processing modified masterbatch and vulcanized rubber in tire tread 中国石油化工股份有限公司 2024-12-17 CN disclosed
CN-119144076-A Rubber processing modified master batch, preparation method and application thereof, rubber composition and application thereof, vulcanized rubber and preparation method and application thereof 中国石油化工股份有限公司 2024-12-17 CN disclosed
CN-119144111-A Rubber processing modified masterbatch and vulcanized rubber for tire tread, and preparation methods and applications thereof 中国石油化工股份有限公司 2024-12-17 CN disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070015143-A1 PREPARATION AND USE OF MIXED MODE SOLID SUBSTRATES FOR CHROMATOGRAPHY ADSORBENTS AND BIOCHIP ARRAYS PALL CORPORATION (US) 2007-01-18 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
EP-1572798-A1 RUBBER COMPOSITIONS AND ARTICLES THEREOF HAVING IMPROVED METAL ADHESION AND METAL ADHESION RETENTION WITH BRIGHT STEEL Bridgestone/Firestone North American Tire, LLC (US) 2005-09-14 EP disclosed
US-20050119383-A1 Rubber compositions and articles thereof having improved metal adhesion and metal adhesion retention with bright steel BRIDGESTONE/FIRESTONE NORTH AMERICAN TIRE, LLC 2005-06-02 US disclosed
WO-2004058871-A1 RUBBER COMPOSITIONS AND ARTICLES THEREOF HAVING IMPROVED METAL ADHESION AND METAL ADHESION RETENTION WITH BRIGHT STEEL BRIDGESTONE/FIRESTONE NORTH AMERICAN TIRE, LLC (US) 2004-07-15 WO disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
JP-S61186372-A PRODUCTION OF BENZOTHIAZOLE AGENCY OF IND SCIENCE & TECHNOL 1986-08-20 JP disclosed
US-4259403-A ACID OR ANHYDRIDE OF VICINAL DI-ACID UNIROYAL, INC. (US) 1981-03-31 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 (6 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CASR 1743/4885TNF 4203/4885NOD1 4454/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 CASR 3409/4885TNF 4047/4885NOD1 3467/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CASR 883/4885TNF 4625/4885NOD1 3402/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 CASR 3737/4885TNF 132/4885NOD1 423/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM CASR 974/4885TNF 1058/4885NOD1 3777/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR CASR 2429/4885TNF 352/4885NOD1 287/4885

“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.