SCHEMBL10046431

SCHEMBL10046431

CCC(=O)Nc1cccc(NC(=O)CC)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ PARP14 Q460N5 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL3438876 0.91 HPGD (0.43) MAPTHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL7219667 0.80 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL8619629 0.80 MAPK1 (0.60) MAPTHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL10046434 0.79 SMN1; SMN2 (0.58) MAPTHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL4263785 0.79 ALDH1A1 (0.61) MAPTHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL12408064 0.77 MAPT (0.51) MAPTHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL3438878 0.77 CETP (0.58) MAPTALDH1A1RAB9APOLBLMNA
SCHEMBL13063142 0.76 MAPK1 (0.53) MAPTSMN1; SMN2HTTALDH1A1RAB9A
SCHEMBL17444748 0.75 PARP14 (0.63) MAPTHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL10436820 0.74 HDAC3 (0.64) MAPTHPGDHTTALDH1A1RAB9A

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-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 — — US disclosed
US-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 — — 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 (3 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA MAPT 3289/4885HPGD 576/4885SMN1; SMN2 3724/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 MAPT 3785/4885HPGD 1140/4885SMN1; SMN2 3875/4885
US-20120077990-A1 Alkene Aziridination AZI2, PPOX, GLI2 MAPT 4635/4885HPGD 3026/4885SMN1; SMN2 932/4885

“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.

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