SCHEMBL7674525

SCHEMBL7674525

CCCCn1c(C(=O)c2ccc(Cl)cc2Cl)cc2c1C(C)C(=O)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 3/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL7677941 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL7679056 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL7684452 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL7678489 0.72 HTT (0.46) SMN1; SMN2HSD17B10KMT2AMEN1CYP2C9
SCHEMBL7678575 0.72 MAPT (0.41) SMN1; SMN2L3MBTL1ALDH1A1CNR2HTT
SCHEMBL7674888 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL7678263 0.69 TSHR (0.42) KMT2AMEN1ALDH1A1CYP2C19TSHR
SCHEMBL7683072 0.68 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL7681927 0.67 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10KMT2APOLBMEN1
SCHEMBL16513003 0.65 HSP90B1 (0.79) HSP90B1TRAP1

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 SMN1; SMN2 2392/4885HSD17B10 989/4885KMT2A 514/4885

“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.