SCHEMBL3733227

SCHEMBL3733227

CC(c1nnc(N)s1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.58
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL11332441 0.82 KMT2A (0.58) KMT2AHPGDHSD17B10ALDH1A1CYP2C9
SCHEMBL11887813 0.76 KMT2A (1.00) KMT2AHPGDALDH1A1CYP2C9CYP2C19
SCHEMBL11299946 0.74 SMN1; SMN2 (0.61) KMT2AHPGDHSD17B10ALDH1A1CYP2C9
SCHEMBL12204154 0.72 ADRB2 (0.48) HPGDHSD17B10ALDH1A1CYP2C9CYP2C19
SCHEMBL20658225 0.71 KMT2A (0.61) KMT2AALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10549775 0.70 HSD17B10 (0.43) KMT2AHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL28481441 0.67 CYP2C19 (0.45) KMT2AHPGDHSD17B10ALDH1A1CYP2C19
SCHEMBL11551312 0.67
SCHEMBL293613 0.66
SCHEMBL3910411 0.66 ALDH1A1 (0.77) KMT2AHPGDHSD17B10ALDH1A1CYP2C9

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 3443/4885HPGD 203/4885HSD17B10 24/4885

“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.