SCHEMBL13401397

SCHEMBL13401397

O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1C/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.53
HPGD P15428 1/20 0.53
ITGA4 P13612 4/20 0.49
ITGB7 P26010 4/20 0.49
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMO Q99835 2/20 0.38
MDM2 Q00987 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
SCHEMBL2364824 0.73 CES2 (0.51) ALDH1A1MAPTPOLBHPGDITGA4
SCHEMBL17717930 0.71 ALDH1A1 (0.53) ALDH1A1MAPTPOLBITGA4ITGB7
SCHEMBL9980773 0.68 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL17358740 0.68 MAPT (0.49) ALDH1A1MAPTPOLBHPGDITGA4
SCHEMBL12218050 0.68 MEN1 (0.82) ALDH1A1MAPTPOLBHPGDITGA4
SCHEMBL2672856 0.68 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL3132028 0.68 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL17717951 0.67 ALDH1A1 (0.60) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL17717928 0.67 ALDH1A1 (0.50) ALDH1A1MAPTHPGDITGA4ITGB7
SCHEMBL472396 0.67 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS, INC. 2010-04-15 US disclosed
US-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS, INC. 2010-04-15 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-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES IKBKB, IKBKG, NFKBIA ALDH1A1 3651/4885MAPT 3345/4885POLB 335/4885

“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.