SCHEMBL21153228

SCHEMBL21153228

CC(NCc1ccc(C(=O)F)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
APAF1 O14727 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASR P41180 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL14469578 0.83 SMN1; SMN2 (0.82) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL29560 0.80 SMN1; SMN2 (0.76) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL774613 0.80 SMN1; SMN2 (0.76) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL79765 0.80 SMN1; SMN2 (0.76) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL7176489 0.79 SMN1; SMN2 (0.70) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL9089267 0.79 SMN1; SMN2 (0.70) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL13077596 0.79 SMN1; SMN2 (0.70) SMN1; SMN2APAF1MEN1KMT2ACASR
SCHEMBL19570479 0.79 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2ACASRCYP2D6
SCHEMBL4424042 0.79 SMN1; SMN2 (0.70) SMN1; SMN2APAF1MEN1KMT2ACASR
Hydrochloric Acid SCHEMBL9635019 0.78 SMN1; SMN2 (0.79) SMN1; SMN2MEN1KMT2ACASRCYP2D6

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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation ACELOT, INC. 2019-07-11 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-20190210959-A1 Small molecule drugs and related methods for treatment of diseases related to abeta42 oligomer formation APP, PSEN2, PSEN1 SMN1; SMN2 433/4885APAF1 2641/4885HDAC1 3591/4885

“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.