SCHEMBL7680883

SCHEMBL7680883

O=C1Cc2[nH]c(C(=O)c3ccc(Cl)cc3)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
SRD5A2 P31213 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
NFKB1 P19838 1/20 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
SCHEMBL7678242 0.86 CTNNB1 (0.36) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7677178 0.86 MAOA (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7678051 0.83 HTT (0.40) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7675494 0.80 NPC1 (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7681712 0.70 MAPK1 (0.37) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7676913 0.68 HTT (0.46) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7676770 0.65 MAPT (0.40) NPC1RAB9AMAPTTDP1HTT
SCHEMBL6170035 0.64 MEN1 (0.63) KMT2ANPC1RAB9AMEN1ALOX15
SCHEMBL6168411 0.64 MEN1 (0.82) KMT2ANPC1RAB9AMEN1
SCHEMBL9792211 0.63 SRD5A2 (0.50) KMT2ANPC1RAB9AMEN1HTT

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 KMT2A 514/4885NPC1 1644/4885RAB9A 4329/4885

“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.