SCHEMBL6777681

SCHEMBL6777681

Cc1nc(C)c(C(=O)Nc2ccsc2C(C)CC(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 2/20 0.44
F10 P00742 1/20 0.42
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL3109031 0.87 RAB9A (0.36) RAB9ARECQLSMN1; SMN2NPC1TP53
SCHEMBL3114202 0.86 GAA (0.43) RAB9ARECQLSMN1; SMN2NPC1KMT2A
SCHEMBL1449903 0.80 RAB9A (0.55) RAB9ARECQLSMN1; SMN2NPC1TP53
SCHEMBL14253653 0.79 RAB9A (0.48) RAB9ARECQLSMN1; SMN2NPC1TP53
SCHEMBL442079 0.76 ATM (0.51) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5634500 0.75 L3MBTL1 (0.52) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL8444052 0.75 F2R (0.45) RAB9ASMN1; SMN2NPC1TP53KMT2A
SCHEMBL13292672 0.74 PRNP (0.36) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3105620 0.74 GAA (0.42) RAB9ARECQLSMN1; SMN2NPC1KMT2A
SCHEMBL3121441 0.74 RAB9A (0.35) RAB9ARECQLSMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11292715-A None JP disclosed
JP-11302107-A None JP disclosed
JP-11302108-A None JP disclosed
JP-11302110-A None JP disclosed
JP-11302111-A None JP disclosed
US-20080249113-A1 Fungicidal Mixtures BASF AKITENGESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080249113-A1 Fungicidal Mixtures BASF AKITENGESELLSCHAFT (DE) 2008-10-09 US disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
US-20080039320-A1 Use Of Menadione BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
US-20080039320-A1 Use Of Menadione BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed
JP-H11302111-A COMPOSITION OF PLANT DISEASE INJURY CONTROLLING AGENT MITSUI CHEM INC 1999-11-02 JP disclosed
JP-H11302110-A COMPOSITION OF PLANT DISEASE INJURY CONTROLLING AGENT MITSUI CHEM INC 1999-11-02 JP disclosed
JP-H11302108-A COMPOSITION OF PLANT DISEASE INJURY CONTROLLING AGENT MITSUI CHEM INC 1999-11-02 JP disclosed
JP-H11302107-A COMPOSITION OF PLANT DISEASE INJURY CONTROLLING AGENT MITSUI CHEM INC 1999-11-02 JP disclosed
JP-H11292715-A PLANT DISEASE-CONTROLLING AGENT COMPOSITION MITSUI CHEM INC 1999-10-26 JP 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-20080249113-A1 Fungicidal Mixtures ARSA, DDT, AZI2 RAB9A 3750/4885RECQL 1801/4885SMN1; SMN2 2394/4885
US-20080039320-A1 Use Of Menadione MANBA, MGAM2, MGAM RAB9A 3983/4885RECQL 2329/4885SMN1; SMN2 4245/4885
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 RAB9A 3693/4885RECQL 2599/4885SMN1; SMN2 1814/4885
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 RAB9A 4339/4885RECQL 999/4885SMN1; SMN2 2245/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 RAB9A 3693/4885RECQL 2599/4885SMN1; SMN2 1814/4885

“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.