SCHEMBL4664159

SCHEMBL4664159

Cc1nc2ccc(NC(=O)C(=O)Nc3ccc4nc(C)sc4c3)cc2s1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.80
RAB9A P51151 13/20 0.70
NPC1 O15118 11/20 0.70
SMN1; SMN2 Q16637 11/20 0.70
HTT P42858 1/20 0.70
MAPT P10636 3/20 0.68
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TSHR P16473 1/20 0.64
GLA P06280 1/20 0.64
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
POLB P06746 1/20 0.62

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
SCHEMBL3923955 0.89 LDHA (1.00) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL15195866 0.88 LDHA (0.76) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL14907231 0.85 MAPT (0.74) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL23932785 0.84 LDHA (0.74) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL30387733 0.83 NPC1 (1.00) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL4664151 0.83 LDHA (0.68) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL14079746 0.83 LDHA (0.68) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL13343673 0.83 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL22894148 0.83 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT
SCHEMBL29609444 0.83 LDHA (0.73) LDHARAB9ANPC1SMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 US disclosed
EP-1743333-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-01-17 EP disclosed
WO-2005106868-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO 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-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity TMCO1, KCNN3, CACNA1F LDHA 3605/4885RAB9A 1255/4885NPC1 3103/4885

“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.