SCHEMBL7677935

SCHEMBL7677935

Cn1c(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc2c1CC(=O)O2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.36
ALOX5 P09917 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL7678284 0.89 MAPT (0.42) L3MBTL1ALDH1A1MAPK1
SCHEMBL7678702 0.78 MAOA (0.41) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7676820 0.74 HRH3 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1566658 0.66 CYP3A4 (0.68) L3MBTL1ALDH1A1SMN1; SMN2CYP3A4ALOX5
SCHEMBL7678128 0.63 PTGS2 (0.59) L3MBTL1ALDH1A1SMN1; SMN2CYP3A4MAPK1
SCHEMBL7682148 0.62 MAOA (0.39) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL3291219 0.60 ALDH1A1 (0.66) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
Methyl Alcohol SCHEMBL27399292 0.59 CYP3A4 (0.61) L3MBTL1ALDH1A1SMN1; SMN2CYP3A4ALOX5
SCHEMBL20474525 0.58 ATM (0.57) L3MBTL1ALDH1A1SMN1; SMN2CYP3A4ALOX5
SCHEMBL214448 0.58 CES2 (0.61) L3MBTL1ALDH1A1SMN1; SMN2CYP3A4MAPK1

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 1764/4885ALDH1A1 208/4885NPC1 1644/4885

“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.