SCHEMBL7676801

SCHEMBL7676801

Cc1c(C(=O)c2ccccc2)[nH]c2c1OC(=O)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 3/20 0.35
TYMP P19971 1/20 0.34
HPGD P15428 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 3/20 0.32
ATM Q13315 2/20 0.32
CASP3 P42574 2/20 0.32
SENP8 Q96LD8 2/20 0.32

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
SCHEMBL7681712 0.86 MAPK1 (0.37) ALOX15TSHRHSD17B10ALDH1A1RAB9A
SCHEMBL7677178 0.69 MAOA (0.43) ALOX15TSHRALDH1A1RAB9AL3MBTL1
SCHEMBL11045583 0.65 ALDH1A1 (0.43) ALOX15ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL8343752 0.65 ALDH1A1 (0.56) ALOX15TSHRHSD17B10ALDH1A1HPGD
SCHEMBL7339717 0.64 PDE4A (0.66) ALOX15TSHRHSD17B10ALDH1A1RAB9A
Benzophenone SCHEMBL6337717 0.63 ALDH1A1 (0.70) TSHRALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL23925779 0.61 SMN1; SMN2 (0.40) ALDH1A1RAB9AL3MBTL1NPC1HPGD
SCHEMBL4783318 0.61 ALDH1A1 (0.46) ALOX15HSD17B10ALDH1A1RAB9AL3MBTL1
SCHEMBL7433893 0.60 ALDH1A1 (0.45) TSHRALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL4471265 0.60 RAB9A (0.51) ALDH1A1RAB9ANPC1HPGDLMNA

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 ALOX15 1106/4885TSHR 2892/4885HSD17B10 989/4885

“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.