SCHEMBL7678501

SCHEMBL7678501

O=C1Cc2c(cc(C(=O)c3ccccc3)n2Cc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NOTUM Q6P988 1/20 0.37
CCR2 P41597 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL7675486 0.93 MAPT (0.45) KMT2ACCR2TP53MAPTSMN1; SMN2
SCHEMBL7681025 0.92 ALDH1A1 (0.41) MEN1KMT2ATP53MAPTCYP3A4
SCHEMBL7677949 0.88 ALDH1A1 (0.41) NOTUMTP53MAPTSMN1; SMN2LMNA
SCHEMBL7674512 0.87 MAPK1 (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL7682148 0.86 MAOA (0.39) MEN1KMT2AMAOAMAOBTP53
SCHEMBL7678040 0.83 SLC6A12 (0.41) TSHRMEN1KMT2ATP53MAPT
SCHEMBL7678702 0.79 MAOA (0.41) MAOAMAOBMAPTSMN1; SMN2CYP3A4
SCHEMBL7676913 0.69 HTT (0.46) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL7678575 0.68 MAPT (0.41) CCR2TP53MAPTSMN1; SMN2L3MBTL1
SCHEMBL7680870 0.68 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2LMNA

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 TSHR 2892/4885MEN1 180/4885KMT2A 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.