SCHEMBL5302986

SCHEMBL5302986

CC(C)(N)c1cc2c(cc1Br)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
TSHR P16473 1/20 0.39
IGF1R P08069 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8248216 0.84 ALDH1A1 (0.40) ALDH1A1GAATSHRIGF1RMEN1
SCHEMBL10919753 0.76 MEN1 (0.34) ALDH1A1GAATSHRIGF1RMEN1
SCHEMBL5297738 0.74 LMNA (0.49) ALDH1A1MAPTPOLBHPGDMAPK1
SCHEMBL1751672 0.73 AHR (0.53) ALDH1A1GAAIGF1RMEN1KMT2A
SCHEMBL4594563 0.73 ALDH1A1 (0.42) ALDH1A1GAATSHRIGF1RMEN1
SCHEMBL6364660 0.72 CYP3A4 (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3073324 0.69 MEN1 (0.47) ALDH1A1GAATSHRIGF1RMEN1
SCHEMBL4995839 0.68 MAPT (0.43) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL5305393 0.67 POLB (0.44) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3747194 0.67 PTPN2 (0.48)

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 ALDH1A1 926/4885GAA 59/4885TSHR 2651/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT ALDH1A1 926/4885GAA 59/4885TSHR 2651/4885

“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.