SCHEMBL3438880

SCHEMBL3438880

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAOA P21397 1/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL10046434 0.91 SMN1; SMN2 (0.58) HTTSMN1; SMN2ALDH1A1HPGDMAOA
SCHEMBL9607572 0.79 SMN1; SMN2 (0.50) HTTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL3438878 0.74 CETP (0.58) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL10046431 0.71 MAPT (0.49) HTTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL10046433 0.71 MDM4 (0.58) HTTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL10564460 0.71 ALDH1A1 (0.57) HTTSMN1; SMN2ALDH1A1HPGDMAOA
SCHEMBL3438876 0.71 HPGD (0.43) HTTSMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL3438879 0.71 CETP (0.50) SMN1; SMN2ALDH1A1POLBGAAHSD17B10
SCHEMBL12163530 0.71 GAA (0.54) SMN1; SMN2ALDH1A1HPGDPOLBCYP2C19
SCHEMBL631133 0.71 ALDH1A1 (0.57) HTTSMN1; SMN2ALDH1A1HPGDMAOA

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 HTT 1318/4885SMN1; SMN2 1784/4885ALDH1A1 233/4885

“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.