SCHEMBL19632006

SCHEMBL19632006

CCC(=O)c1cn2cc(C(C)=O)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 3/20 0.42
EGLN1 Q9GZT9 7/20 0.39
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
RIPK1 Q13546 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
SCHEMBL15223780 0.85 HRH4 (0.41) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL22147857 0.83 PTGS1 (0.54) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL29183557 0.82 KDM4E (0.63) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL1500262 0.80 PIK3CG (0.51) RAB9ASMN1; SMN2KDM4EPOLBEGLN1
SCHEMBL19632076 0.79 HRH4 (0.37) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL15222278 0.79 MAP3K5 (0.39) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL2087833 0.78 PTGS1 (0.45) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL19592549 0.77 POLB (0.48) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL24247758 0.77 APP (0.48) RAB9ASMN1; SMN2MAPTKDM4EPOLB
SCHEMBL15223848 0.76 MCHR1 (0.49) POLBEGLN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RAB9A 4266/4885SMN1; SMN2 645/4885MAPT 4526/4885

“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.