SCHEMBL4759388

SCHEMBL4759388

CCOC(=O)c1c(-c2ccccc2NC=O)csc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
GSTO1 P78417 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL4254043 0.87 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1554609 0.86 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1554657 0.83 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL3903170 0.83 SCN2A (0.37) ALDH1A1LMNASMN1; SMN2MAPTTSHR
SCHEMBL4757822 0.83 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL3898310 0.81 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL1553396 0.81 HPGD (0.51) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1554259 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1553406 0.81 PTPN1 (0.48) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL1553883 0.80 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 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 (2 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885LMNA 4578/4885SMN1; SMN2 72/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885LMNA 4578/4885SMN1; SMN2 72/4885

“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.