SCHEMBL3728044

SCHEMBL3728044

CC(C)COc1ccc(Cl)cc1OCc1nnc(N)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 6/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
BRD4 O60885 1/20 0.44
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER1 P34995 1/20 0.41

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
SCHEMBL3727149 0.80 ALDH1A1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3731106 0.80 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3727157 0.71 MEN1 (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL13347438 0.71 KDM1A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL358044 0.71 KDM1A (0.57) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL3728504 0.70 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3738421 0.70 ALDH1A1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3727761 0.70 LMNA (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL12218606 0.70 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3729052 0.69 HTT (0.74) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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 RAB9A 3330/4885SMN1; 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.