SCHEMBL5517037

SCHEMBL5517037

COC(=O)c1ccc(/C=C/CN2Cc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.45
PTPN1 P18031 1/20 0.45
LMNA P02545 4/20 0.44
THRB P10828 1/20 0.44
LIPE Q05469 1/20 0.44
MCHR1 Q99705 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 2/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5517038 1.00 NAMPT (0.50) NAMPTMAPTL3MBTL1ALDH1A1PTPN1
SCHEMBL11586577 0.79 MAPK1 (0.51) MAPTL3MBTL1ALDH1A1LMNATSHR
SCHEMBL11586576 0.79 MAPK1 (0.51) MAPTL3MBTL1ALDH1A1LMNATSHR
SCHEMBL2249223 0.79 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1PTPN1LMNA
SCHEMBL2249228 0.79 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1PTPN1LMNA
Hydrochloric Acid SCHEMBL11586138 0.78 MAPK1 (0.50) L3MBTL1ALDH1A1LMNATSHRKDM4E
Hydrochloric Acid SCHEMBL11586141 0.78 MAPK1 (0.50) L3MBTL1ALDH1A1LMNATSHRKDM4E
SCHEMBL11588121 0.77 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1
SCHEMBL11588118 0.77 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAPK1
SCHEMBL11584483 0.77 LTA4H (0.46) ALDH1A1LMNASMN1; SMN2USP2MAPK1

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-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2006-01-26 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-20060020131-A1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents HDAC1, AADAC, HDAC11 NAMPT 351/4885MAPT 2938/4885L3MBTL1 3034/4885

“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.