SCHEMBL7682079

SCHEMBL7682079

O=C(O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A12 P48065 1/20 0.43
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CCR2 P41597 2/20 0.39

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
SCHEMBL7678477 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7682189 0.82 PTGS2 (0.49) L3MBTL1SMN1; SMN2NPC1RAB9ASRD5A2
Methane SCHEMBL7674451 0.81 PTGS2 (0.48) L3MBTL1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL7674888 0.81 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2HSD17B10ALDH1A1NPC1
SCHEMBL7680829 0.80 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2HSD17B10ALDH1A1RAB9A
SCHEMBL7675533 0.79 AKR1B1 (0.48) SMN1; SMN2HSD17B10ALDH1A1TSHRMEN1
SCHEMBL7678108 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL8726700 0.74 PTGS1 (0.47) SMN1; SMN2RAB9ACYP1A2TSHRSRD5A2
SCHEMBL7684729 0.74 PTGS2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL11807172 0.74 TSHR (0.42) L3MBTL1SMN1; SMN2HSD17B10ALDH1A1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A L3MBTL1 1764/4885SMN1; SMN2 2392/4885HSD17B10 989/4885

“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.