SCHEMBL7044965

SCHEMBL7044965

O=C(Cc1cccc2ccccc12)NCC(CCc1ccccc1O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 4/20 0.41
PTPN1 P18031 1/20 0.39
MEN1 O00255 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
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 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
SCHEMBL7049302 0.82 FAAH (0.40) ALDH1A1MAPTHPGDPTPN1SMN1; SMN2
SCHEMBL7045440 0.79 HPGD (0.41) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL7112289 0.76 HPGD (0.41) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL6462563 0.73 KDM4E (0.43) ALDH1A1MAPTHPGDKDM4ENPSR1
Hydrochloric Acid SCHEMBL6465927 0.72 ALDH1A1 (0.36) ALDH1A1PTPN1
SCHEMBL7045297 0.70 KDM4E (0.44) ALDH1A1MAPTHPGDKDM4ENPSR1
SCHEMBL7045920 0.70 CTSL (0.40) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL6462048 0.70 L3MBTL1 (0.33) ALDH1A1MAPTKMT2AMEN1
SCHEMBL6462284 0.69 PTPN1 (0.39) MAPTPTPN1PPARGLMNA
SCHEMBL6464305 0.68 KDM4E (0.48) ALDH1A1MAPTHPGDKDM4ENPSR1

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 ALDH1A1 3027/4885MAPT 2414/4885HPGD 536/4885

“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.