SCHEMBL7677941

SCHEMBL7677941

CC1C(=O)Oc2cc(C(=O)c3ccc(Cl)cc3Cl)n(C)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
ALDH1A1 P00352 3/20 0.38
P2RX7 Q99572 1/20 0.38
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 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
SCHEMBL7678263 0.81 TSHR (0.42) MEN1KMT2ACYP2C19MAPTTSHR
SCHEMBL7681927 0.76 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL7678067 0.74 CXCL8 (0.41) SMN1; SMN2KMT2APOLBCYP2C9CYP1A2
SCHEMBL7684452 0.74 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL7678781 0.72 HTT (0.46) SMN1; SMN2HSD17B10MEN1KMT2ACYP2C9
SCHEMBL7674662 0.70 HTT (0.39) SMN1; SMN2POLBCYP2C9CYP1A2CYP2C19
SCHEMBL7678575 0.69 MAPT (0.41) SMN1; SMN2MAPTL3MBTL1ALDH1A1HTT
SCHEMBL30185351 0.66 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL195020 0.66 SMN1; SMN2 (0.71) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL11728744 0.66 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10MEN1KMT2APOLB

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 989/4885MEN1 180/4885

“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.