SCHEMBL3729696

SCHEMBL3729696

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(COc4ccc(Cl)cc4)s3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ESR2 Q92731 1/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
HPGD P15428 6/20 0.49
HSD17B10 Q99714 4/20 0.49
ALOX15 P16050 3/20 0.49
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GRAMD1A Q96CP6 1/20 0.46
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
NOD2 Q9HC29 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL3729140 0.93 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3727461 0.92 ESR2 (0.48) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3738472 0.92 DGAT1 (0.49) KMT2AESR2ALDH1A1MAPTLMNA
SCHEMBL3727174 0.92 LMNA (0.48) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3728205 0.90 ESR2 (0.47) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3729653 0.90 ESR2 (0.48) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3727225 0.90 ESR2 (0.48) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3726888 0.90 ESR2 (0.47) KMT2AESR2ALDH1A1MAPTLMNA
SCHEMBL3729473 0.90 ESR2 (0.51) KMT2ASMN1; SMN2NPC1RAB9AESR2
SCHEMBL3730968 0.89 L3MBTL1 (0.51) KMT2ASMN1; SMN2ESR2ALDH1A1MAPT

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 KMT2A 3443/4885SMN1; SMN2 2732/4885NPC1 416/4885

“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.