SCHEMBL7684452

SCHEMBL7684452

CCC1C(=O)Oc2cc(C(=O)c3ccc(Cl)cc3Cl)n(Cc3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A12 P48065 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 3/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
NOTUM Q6P988 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
SCHEMBL7678105 0.80 TDP1 (0.38) MEN1KMT2AALDH1A1NPC1CYP2C19
SCHEMBL7674525 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL7678040 0.76 SLC6A12 (0.41) SMN1; SMN2HSD17B10SLC6A12MEN1KMT2A
SCHEMBL7677941 0.74 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10MEN1KMT2AALDH1A1
SCHEMBL7678575 0.74 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTL3MBTL1CCR2
SCHEMBL7678108 0.71 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10SLC6A12MEN1KMT2A
SCHEMBL7682079 0.68 L3MBTL1 (0.46) SMN1; SMN2HSD17B10SLC6A12MEN1KMT2A
SCHEMBL7675561 0.67 MAPK1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL7675490 0.66 HPGD (0.37) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL11807172 0.66 TSHR (0.42) SMN1; SMN2HSD17B10SLC6A12MEN1KMT2A

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 SMN1; SMN2 2392/4885HSD17B10 989/4885SLC6A12 4788/4885

“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.