SCHEMBL6154732

SCHEMBL6154732

S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
LMNA P02545 3/20 0.68
ALOX12 P18054 2/20 0.68
HPGD P15428 1/20 0.68
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
ATM Q13315 2/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 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
SCHEMBL6665515 0.72 MAPT (0.52) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL12453557 0.71 ALDH1A1 (0.57) ALDH1A1LMNAALOX12HPGDKMT2A
SCHEMBL3469805 0.70 RAB9A (0.63) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL2335088 0.70 RAB9A (0.63) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL6153460 0.70 RRM1 (0.56) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL13673579 0.69 RAB9A (0.61) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL13673581 0.69 RAB9A (0.61) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL6154622 0.68 SMN1; SMN2 (0.55) ALDH1A1LMNAALOX12KMT2AMEN1
SCHEMBL12746344 0.68 NPC1 (1.00) LMNAKMT2AMEN1MAPTRAB9A
SCHEMBL4555003 0.68 IDO1 (0.78) ALDH1A1LMNAALOX12HPGDKMT2A

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ALDH1A1 961/4885LMNA 4884/4885ALOX12 3916/4885

“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.