SCHEMBL7044969

SCHEMBL7044969

O=C(Cc1cccc2ccccc12)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 5/20 0.40
MTNR1A P48039 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 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
SCHEMBL7049306 0.84 DAGLA (0.44) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL7045443 0.77 MEN1 (0.45) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL6467037 0.77 FAAH (0.36) HPGDALDH1A1MAPTKMT2AMTNR1A
Hydrochloric Acid SCHEMBL6465937 0.75 FAAH (0.35) KDM4EALDH1A1MAPTPTPN1KMT2A
SCHEMBL6466202 0.75 LMNA (0.36) HPGDKDM4EALDH1A1MAPTNPSR1
SCHEMBL6464160 0.75 LMNA (0.39) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6462568 0.74 METAP2 (0.37) HPGDALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7112293 0.74 HPGD (0.44) HPGDALDH1A1MAPTKMT2AMTNR1A
Hydrochloric Acid SCHEMBL6462056 0.73 L3MBTL1 (0.33) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6462741 0.73 FAAH (0.36) ALDH1A1MAPTPTPN1KMT2ACYP1A2

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ HPGD 536/4885KDM4E 2918/4885ALDH1A1 3027/4885

“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.