SCHEMBL3438876

SCHEMBL3438876

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
PARP14 Q460N5 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
GPR35 Q9HC97 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
IKBKB O14920 1/20 0.37

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
SCHEMBL10046431 0.91 MAPT (0.49) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7219667 0.72 ALDH1A1 (0.54) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8619629 0.72 MAPK1 (0.60) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL3438880 0.71 HTT (0.50) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4263785 0.71 ALDH1A1 (0.61) HPGDMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL10046434 0.71 SMN1; SMN2 (0.58) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL3438878 0.70 CETP (0.58) MAPTALDH1A1RAB9APOLBLMNA
SCHEMBL12408064 0.70 MAPT (0.51) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL22844942 0.69 HTT (0.42) HPGDMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL13063142 0.69 MAPK1 (0.53) MAPTSMN1; SMN2HTTALDH1A1RAB9A

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD HPGD 495/4885MAPT 4550/4885SMN1; SMN2 1784/4885

“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.