SCHEMBL7045923

SCHEMBL7045923

O=C(CCC1CCCCC1)NCC(O)(CCc1ccccc1)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
ENPP2 Q13822 1/20 0.38
CETP P11597 2/20 0.38
PTGES O14684 6/20 0.38
PTGS2 P35354 3/20 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
SCHEMBL7045443 0.89 MEN1 (0.45) KMT2ALMNAMEN1RAB9ABACE1
SCHEMBL7186569 0.88 MEN1 (0.40) KMT2AMEN1RAB9ABACE1HPGD
SCHEMBL7042908 0.87 DAGLA (0.47) KMT2AMEN1RAB9AHPGDSMN1; SMN2
SCHEMBL7049306 0.78 DAGLA (0.44) KMT2ALMNAMEN1RAB9AHPGD
SCHEMBL7045308 0.76 CTSS (0.49) KMT2ALMNAMEN1RAB9ATP53
SCHEMBL6465748 0.76 LMNA (0.40) KMT2ALMNARAB9ATP53SMN1; SMN2
SCHEMBL7047959 0.76 MEN1 (0.44) KMT2ALMNAMEN1RAB9AHPGD
SCHEMBL6465745 0.75 KMT2A (0.43) KMT2ALMNAMEN1RAB9ATP53
SCHEMBL6464160 0.74 LMNA (0.39) KMT2ALMNAMEN1RAB9ATP53
SCHEMBL7045311 0.73 KMT2A (0.42) KMT2ALMNAMEN1RAB9ABACE1

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 KMT2A 3705/4885LMNA 1755/4885MEN1 4023/4885

“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.