SCHEMBL3728259

SCHEMBL3728259

NC(=S)NNC(=O)Cc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
PTGER4 P35408 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
MAPK8 P45983 2/20 0.54
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GSK3B P49841 1/20 0.51

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
SCHEMBL28399539 0.86 KMT2A (0.60) ATMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3731542 0.85 P2RX7 (0.55) ATMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11830961 0.80 ALDH1A1 (0.53) ATMSMN1; SMN2KMT2ALMNAHPGD
SCHEMBL38664746 0.79 TDP1 (0.62) ATMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1411297 0.79 TDP1 (0.62) ATMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10570305 0.79 ATM (1.00) ATMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3729261 0.78 MAPK8 (0.51) ATMSMN1; SMN2KMT2AMAPK8CA12
SCHEMBL3728253 0.78 PKM (0.59) ATMMEN1KMT2ACYP3A4CYP2C19
SCHEMBL14504321 0.78 TDP1 (0.57) ATMSMN1; SMN2MEN1KMT2ALMNA
Thiourea SCHEMBL28323492 0.78 TDP1 (0.83) ATMSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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 (1 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ATM 3093/4885SMN1; SMN2 2732/4885MEN1 4844/4885

“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.