SCHEMBL7678669

SCHEMBL7678669

N#CCc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL7678288 0.85 ALDH1A1 (0.44) NPC1ALDH1A1SRD5A2KMT2AMEN1
SCHEMBL7678700 0.85 LMNA (0.43) NPC1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL7685026 0.84 MEN1 (0.48) NPC1ALDH1A1L3MBTL1SRD5A2MAPK1
SCHEMBL7685125 0.81 RAB9A (0.53) NPC1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL7682468 0.80 HTT (0.42) NPC1ALDH1A1L3MBTL1SRD5A2MAPK1
SCHEMBL7678834 0.78 HPGD (0.48) NPC1L3MBTL1SRD5A2MAPK1KMT2A
SCHEMBL7684478 0.78 TAS1R3 (0.40) NPC1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL11814720 0.77 SIRT1 (0.47) NPC1ALDH1A1L3MBTL1SRD5A2MAPK1
SCHEMBL11612945 0.77 ALDH1A1 (0.39) NPC1ALDH1A1L3MBTL1SRD5A2MAPK1
SCHEMBL11815696 0.75 MMP1 (0.43) NPC1ALDH1A1L3MBTL1SRD5A2MAPK1

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 NPC1 1644/4885ALDH1A1 208/4885L3MBTL1 1764/4885

“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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