SCHEMBL7685508

SCHEMBL7685508

O=C(O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL11811167 0.84 MAPT (0.49) L3MBTL1MEN1KMT2AALDH1A1MAPK1
SCHEMBL7682468 0.81 HTT (0.42) L3MBTL1SMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL7678834 0.79 HPGD (0.48) L3MBTL1SMN1; SMN2TSHRSRD5A2MEN1
SCHEMBL9792306 0.79 SMN1; SMN2 (0.52) L3MBTL1SMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL11817628 0.75 RAB9A (0.42) L3MBTL1SMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL7678876 0.72 HPGD (0.41) SMN1; SMN2SRD5A2MEN1KMT2AALDH1A1
SCHEMBL30185351 0.72 SMN1; SMN2 (0.71) L3MBTL1SMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL195020 0.72 SMN1; SMN2 (0.71) L3MBTL1SMN1; SMN2TSHRCASP1SRD5A2
SCHEMBL11295460 0.71 FFAR1 (0.43) SMN1; SMN2TSHRCASP1SRD5A2MEN1
SCHEMBL6568279 0.70 KDM4E (0.40) SMN1; SMN2TSHRSRD5A2MEN1KMT2A

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 5 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
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — 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 2392/4885TSHR 2892/4885

“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.

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