SCHEMBL7682239

SCHEMBL7682239

N#CCc1ccc(C(=O)c2ccc(Br)cc2)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 4/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 6/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
AKR1C3 P42330 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL7675498 0.91 MEN1 (0.50) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7678142 0.89 CNR2 (0.45) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7685415 0.84 PTGS2 (0.46) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7678957 0.83 MAPK1 (0.47) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7681044 0.82 MEN1 (0.43) KMT2AMEN1TSHRALDH1A1CYP2D6
Ethane SCHEMBL7676908 0.81 PTGS2 (0.47) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7680952 0.77 ALDH1A1 (0.43) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL7685418 0.77 CXCL8 (0.49) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL7678477 0.75 SMN1; SMN2 (0.43) KMT2AMEN1TSHRALDH1A1CYP2D6
SCHEMBL7675533 0.73 AKR1B1 (0.48) KMT2AMEN1TSHRALDH1A1MAPT

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 KMT2A 514/4885MEN1 180/4885TSHR 2892/4885

“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.