SCHEMBL7676782

SCHEMBL7676782

Cc1ccc(C(=O)c2cc3c(n2C)CC(=O)O3)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 5/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL7678438 0.89 HPGD (0.42) ALDH1A1HTTNPC1POLBLMNA
SCHEMBL7675598 0.87 CXCL8 (0.41) ALDH1A1SMN1; SMN2HTTPOLBLMNA
SCHEMBL7683451 0.84 CA12 (0.33) ALDH1A1POLBMAPTGAATDP1
SCHEMBL7681406 0.83 NPC1 (0.39) ALDH1A1SMN1; SMN2HTTNPC1LMNA
SCHEMBL7674503 0.83 KMT2A (0.37) ALDH1A1SMN1; SMN2HTTNPC1LMNA
SCHEMBL7676981 0.83 CA12 (0.34) ALDH1A1SMN1; SMN2HTTNPC1POLB
SCHEMBL7680773 0.81 TSHR (0.49) ALDH1A1SMN1; SMN2NPC1POLBMAPT
SCHEMBL7678452 0.81 RAB9A (0.39) ALDH1A1SMN1; SMN2HTTNPC1POLB
SCHEMBL7678182 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTNPC1POLB
SCHEMBL7676824 0.81 MAOB (0.37) ALDH1A1HTTCA12CA9

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 ALDH1A1 208/4885SMN1; SMN2 2392/4885HTT 2603/4885

“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.