SCHEMBL3684899

SCHEMBL3684899

COC(=O)c1ccc2c(c1)C(=O)N(OC(C)=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA4 P22748 3/20 0.52
CASP3 P42574 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPRC P08575 1/20 0.46
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL860092 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ATMNPSR1CA1
SCHEMBL3681449 0.84 ALDH1A1 (0.58) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL3684122 0.84 POLB (0.41) ALDH1A1SMN1; SMN2ATMNPSR1CA1
SCHEMBL3684173 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ATMNPSR1CA1
SCHEMBL3673450 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3676316 0.82 LMNA (0.65) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL3682046 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ATMNPSR1NPC1
SCHEMBL3675745 0.81 PLA2G1B (0.53) ALDH1A1SMN1; SMN2ATMNPSR1NPC1
SCHEMBL2241691 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2ATMNPSR1CA1
SCHEMBL3672992 0.81 MAPT (0.40) ALDH1A1SMN1; SMN2ATMNPSR1CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741514-B2 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-22 US disclosed
US-20090286060-A1 Degradable polymer article CIBA CORP. 2009-11-19 US disclosed
US-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst ISHII YASUTAKA 2006-12-14 US disclosed
US-7115541-B2 Catalyst comprising n-substituted cyclic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-03 US disclosed
EP-1338336-A1 CATALYSTS COMPRISING N-SUBSTITUTED CYCLIC IMIDES AND PROCESSES FOR PREPARING ORGANIC COMPOUNDS WITH THE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2003-08-27 EP disclosed
US-20030013603-A1 Catalyst comprising n-substituted cylic imides and processes for preparing organic compounds with the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-16 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-20060281629-A1 Catalyst comprising N-substituted cyclic imide compound and process for producing organic compound using the catalyst NOS2, NOS1, NOS3 ALDH1A1 1638/4885SMN1; SMN2 2053/4885ATM 3256/4885

“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.