SCHEMBL7044252

SCHEMBL7044252

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)C1CCCCC1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 1/20 0.38
GRIN2B Q13224 2/20 0.38
KMT2A Q03164 1/20 0.38
PRSS8 Q16651 2/20 0.38
TSHR P16473 1/20 0.38
ENPP2 Q13822 1/20 0.37
CTSS P25774 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LCK P06239 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL6061659 0.90 LMNA (0.43) HTTSMN1; SMN2LMNAMAPTTSHR
SCHEMBL7047092 0.85 LMNA (0.41) HTTSMN1; SMN2LMNAMAPTTSHR
SCHEMBL7042876 0.84 CTSS (0.43) HTTSMN1; SMN2LMNAMAPTTSHR
Hydrochloric Acid SCHEMBL7114471 0.84 CTSS (0.43) HTTSMN1; SMN2LMNAMAPTTSHR
SCHEMBL6063094 0.81 CTSS (0.47) HTTSMN1; SMN2LMNACYP2C19KMT2A
SCHEMBL7048360 0.80 HTT (0.45) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6466351 0.80 FAAH (0.38) HTTSMN1; SMN2LMNATSHRCTSS
SCHEMBL7049338 0.79 CTSS (0.38) HTTSMN1; SMN2LMNACTSS
SCHEMBL7047591 0.75 CTSS (0.38) SMN1; SMN2NPC1RAB9ACTSS
SCHEMBL7047998 0.74 LMNA (0.46) HTTSMN1; SMN2LMNAMAPTKMT2A

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 2464/4885SMN1; SMN2 4034/4885NPC1 428/4885

“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.