SCHEMBL5299244

SCHEMBL5299244

COc1ccc(OC)c(OC)c1NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.34
G6PD P11413 1/20 0.34
HSD17B10 Q99714 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL19930436 0.78 CA1 (0.46) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL5288288 0.78 LMNA (0.46) SMN1; SMN2LMNANPC1RAB9AMAPT
SCHEMBL18482186 0.76 MAPT (0.38) SMN1; SMN2NPC1RAB9AMAPTTDP1
SCHEMBL14017796 0.72 ATM (0.47) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL8551899 0.72 NPC1 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9174641 0.72 IDO1 (0.38) SMN1; SMN2LMNARAB9AMAPTMEN1
SCHEMBL3674074 0.71 CA9 (0.50) SMN1; SMN2MAPTKMT2ATDP1KDM4E
SCHEMBL30701949 0.71 CA9 (0.50) SMN1; SMN2MAPTKMT2ATDP1KDM4E
SCHEMBL14655577 0.71 PGK1 (0.40) SMN1; SMN2LMNAMAPTMAPK1PDE1A
SCHEMBL5301215 0.69 CYP19A1 (0.42) SMN1; SMN2LMNANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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 (2 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT SMN1; SMN2 24/4885LMNA 2266/4885NPC1 3598/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT SMN1; SMN2 24/4885LMNA 2266/4885NPC1 3598/4885

“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.