SCHEMBL7678477

SCHEMBL7678477

N#CCc1ccc(C(=O)c2ccc(Cl)cc2Cl)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SLC6A12 P48065 1/20 0.41
CCR2 P41597 3/20 0.40
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A2 P31213 1/20 0.39
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7682079 0.85 L3MBTL1 (0.46) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7678142 0.83 CNR2 (0.45) SMN1; SMN2ALDH1A1CNR1CCR2CYP2C9
SCHEMBL7683072 0.81 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7675498 0.80 MEN1 (0.50) SMN1; SMN2HSD17B10ALDH1A1NPC1CCR2
SCHEMBL7678469 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10ALDH1A1RAB9ACYP2C9
SCHEMBL7682239 0.75 KMT2A (0.43) SMN1; SMN2ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL7681044 0.75 MEN1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ACCR2
SCHEMBL7678108 0.74 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL7678957 0.71 MAPK1 (0.47) SMN1; SMN2ALDH1A1CNR1NPC1RAB9A
SCHEMBL11807172 0.71 TSHR (0.42) SMN1; SMN2HSD17B10ALDH1A1NPC1RAB9A

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 5 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
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 989/4885ALDH1A1 208/4885

“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.