SCHEMBL54176

SCHEMBL54176

CSc1cccc2sc(SC#N)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
F2RL3 Q96RI0 3/20 0.32
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
ADRA2A P08913 1/20 0.31
FBP1 P09467 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
MC5R P33032 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL960749 0.88 SMN1; SMN2 (0.36) PSMB8ALDH1A1TDP1CYP3A4F2RL3
SCHEMBL3923193 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4F2RL3ADRA2A
SCHEMBL27456866 0.81 ALDH1A1 (0.51) PSMB8ALDH1A1TDP1CYP3A4HPGD
SCHEMBL8156547 0.78 CYP1A2 (0.36) PSMB8ALDH1A1TDP1CYP3A4THRB
SCHEMBL11709639 0.78 PSMB8 (0.59) PSMB8ALDH1A1TDP1CYP3A4THRB
SCHEMBL31293857 0.76 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4F2RL3ADRA2A
SCHEMBL27478029 0.75 LIPG (0.34) PSMB8ALDH1A1TDP1CYP3A4F2RL3
SCHEMBL13479871 0.75 PSMB8 (0.37) PSMB8ALDH1A1TDP1CYP3A4MYC
SCHEMBL9305886 0.74 MEN1 (0.38) ALDH1A1TDP1CYP3A4F2RL3ADORA3
SCHEMBL12109832 0.74 ATM (0.41) ALDH1A1TDP1CYP3A4F2RL3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023248148-A1 DYEING COMPOSITION, PROCESS FOR ITS PREPARATION, INDIGO DYEING OF LEATHER AND INDIGO DYED LEATHER ARVIND LIMITED (IN) 2023-12-28 WO claimed
CN-1151273-C Preservative, antibacterial, mildew-proof, salt stain-proof and insect-proof fresh skin treating agent 古舜起 2004-05-26 CN claimed
CN-1332253-A Preservative, antibacterial, mildew-proof, salt stain-proof and insect-proof fresh skin treating agent GU SHUNQI (CN) 2002-01-23 CN claimed
WO-2023248148-A1 DYEING COMPOSITION, PROCESS FOR ITS PREPARATION, INDIGO DYEING OF LEATHER AND INDIGO DYED LEATHER ARVIND LIMITED (IN) 2023-12-28 WO disclosed
US-9585387-B1 PEHAM dendrimers for use in agriculture STARPHARMA PTY LTD (AU) 2017-03-07 US disclosed
US-8877681-B2 Use of specific alcohol alkoxylates as an adjuvant for agrotechnical applications BASF SE (DE) 2014-11-04 US disclosed
US-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS BERGHAUS RAINER (DE) 2012-10-18 US disclosed
US-8129312-B2 Use of defined alcohol alkoxylates as adjuvants in the agrotechnical field BASF SE (DE) 2012-03-06 US disclosed
CN-102202506-A Spinosyn antifouling compositions, methods of use thereof, and articles protected from attachment of biofouling organisms ENTARCO SA 2011-09-28 CN disclosed
US-20110230348-A1 PEHAM Dendrimers for Use in Agriculture DENDRITIC NANOTECHNOLOGIES, INC. (US) 2011-09-22 US disclosed
CN-101547676-A Wet wipes exhibiting a warming effect through the crystallization enthalpy of a supersatured solution incorporated therein KIMBERLY CLARK CO (US) 2009-09-30 CN disclosed
CN-1068313-C Amide of 2- [ (dihydro) pyrazole-3' -oxymethylene ] aniline, preparation method and application thereof BASF AG (DE) 2001-07-11 CN disclosed
CN-1249661-A Hydroximic acid halogenides, method for production and use thereof BASF AG (DE) 2000-04-05 CN disclosed
US-5994359-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
CN-1196657-A Harmful fungi control with composition containing active substance respiration by inhibiting cytochrome complex III and amide BASF AG (DE) 1998-10-21 CN disclosed
US-5783722-A FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
CN-1166828-A 2-(4-biphenyl-oxymethlene) anilides, process and intermediate products for preparing the same and their use as pesticides BASF AG (DE) 1997-12-03 CN disclosed
CN-1159182-A Carbamyl carboxamides BASF AG (DE) 1997-09-10 CN disclosed
CN-1156446-A carbamoyl carbohydrazide BASF AG (DE) 1997-08-06 CN disclosed
CN-1154692-A Amide of 2- [ (dihydro) pyrazole-3' -oxymethylene ] aniline, preparation method and application thereof BASF AG (DE) 1997-07-16 CN 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-20110230348-A1 PEHAM Dendrimers for Use in Agriculture MGAM, PGLS, CAT PSMB8 3896/4885ALDH1A1 2222/4885TDP1 1125/4885
US-20120264607-A1 USE OF SPECIFIC ALCOHOL ALKOXYLATES AS AN ADJUVANT FOR AGROTECHNICAL APPLICATIONS ADH5, ALKBH3, ADH1C PSMB8 4444/4885ALDH1A1 558/4885TDP1 3485/4885

“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.