SCHEMBL3737643

SCHEMBL3737643

NC(=S)NNC(=O)COc1cc(Cl)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ATM Q13315 1/20 0.56
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.51
THRB P10828 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALOX12 P18054 2/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL3725036 0.89 ALDH1A1 (0.64) GAAATMTP53ALDH1A1THRB
SCHEMBL3734752 0.86 GAA (0.57) GAAATMTP53ALDH1A1THRB
SCHEMBL3733772 0.82 GAA (0.71) GAAATMTP53ALDH1A1POLB
SCHEMBL3738383 0.81 LMNA (0.50) GAAATMALDH1A1THRBMEN1
SCHEMBL3740206 0.79 NPC1 (0.63) GAAATMALDH1A1MEN1KMT2A
SCHEMBL3737663 0.78 ALDH1A1 (0.60) GAAATMALDH1A1THRBMEN1
SCHEMBL64347 0.75 TDP1 (0.74) TP53MEN1KMT2AMAPTTDP1
SCHEMBL9722688 0.75 TDP1 (0.54) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL3731079 0.75 GAA (0.56) GAAATMTP53ALDH1A1POLB
SCHEMBL3725312 0.74 P2RX7 (0.57) GAAALDH1A1POLBKMT2ATDP1

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 GAA 735/4885ATM 3093/4885TP53 4799/4885

“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.