SCHEMBL7675498

SCHEMBL7675498

N#CCc1ccc(C(=O)c2ccccc2)n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCR2 P41597 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
SCHEMBL7678142 0.92 CNR2 (0.45) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7682239 0.91 KMT2A (0.43) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7678957 0.86 MAPK1 (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7681044 0.85 MEN1 (0.43) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7680952 0.84 ALDH1A1 (0.43) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7675533 0.81 AKR1B1 (0.48) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7678477 0.80 SMN1; SMN2 (0.43) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL7683436 0.78 CXCL8 (0.51) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8726700 0.74 PTGS1 (0.47) MEN1KMT2ATSHRCNR2SMN1; SMN2
SCHEMBL7682189 0.74 PTGS2 (0.49) MAPTHPGDCNR2SMN1; SMN2NPC1

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 MEN1 180/4885KMT2A 514/4885TSHR 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.