SCHEMBL7048360

SCHEMBL7048360

O=C(NCC(C(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C1CCCCC1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2B Q13224 6/20 0.40
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ENPP2 Q13822 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7043453 0.86 LMNA (0.43) HTTLMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL7045974 0.82 CTSS (0.43) HTTLMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL7044252 0.80 HTT (0.43) HTTLMNAMAPTSMN1; SMN2NPC1
SCHEMBL7049029 0.79 RAB9A (0.38) LMNAMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL7046906 0.73 MAPT (0.43) HTTLMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL6063357 0.69 CTSL (0.42) HTTLMNAMAPTSMN1; SMN2NPC1
SCHEMBL7049306 0.68 DAGLA (0.44) HTTLMNAMAPTSMN1; SMN2NPC1
SCHEMBL24025460 0.67 HTT (0.65) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL26285480 0.67 HTT (0.65) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL6462894 0.67 MEN1 (0.38) HTTLMNAMAPTSMN1; SMN2NPC1

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 HTT 2464/4885LMNA 1755/4885MAPT 2414/4885

“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.