SCHEMBL7683072

SCHEMBL7683072

CCCCn1c(CC#N)ccc1C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GABRA1 P14867 5/20 0.37
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37

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
SCHEMBL7674888 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7678469 0.83 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7678477 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7674826 0.71 HTT (0.40) SMN1; SMN2TDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL7679056 0.69 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7680829 0.69 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7678327 0.69 CNR2 (0.41) SMN1; SMN2HSD17B10POLBKMT2ARECQL
SCHEMBL7674525 0.68 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7685393 0.68 CXCL8 (0.49) SMN1; SMN2HSD17B10POLBKMT2AMEN1
SCHEMBL7675830 0.66 PTGS2 (0.49) SMN1; SMN2TDP1L3MBTL1ALDH1A1CYP1A2

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 6 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-4213905-A Preparation of 5-aroyl-1-loweralkylpyrrole-2-acetic acid salts MCNEILAB, INC. (US) 1980-07-22 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 SMN1; SMN2 2392/4885HSD17B10 989/4885POLB 470/4885

“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.