SCHEMBL10001067

SCHEMBL10001067

CC(=O)c1ccc(N([13CH3])[13CH3])cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.77
MAPT P10636 3/20 0.77
NPC1 O15118 3/20 0.77
MAPK1 P28482 2/20 0.77
KDM4E B2RXH2 2/20 0.77
ALDH1A1 P00352 5/20 0.70
HPGD P15428 4/20 0.70
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP3A4 P08684 1/20 0.54
HBB P68871 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL60627 1.00 RAB9A (0.77) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL13486845 0.93 MAPT (0.69) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL13486843 0.93 MAPT (0.69) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL1003538 0.89 RAB9A (0.65) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL12056707 0.88 NPC1 (1.00) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL18806558 0.88 NPC1 (1.00) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL18806572 0.88 NPC1 (1.00) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL12307345 0.88 NPC1 (1.00) RAB9AMAPTNPC1MAPK1KDM4E
Anthracene SCHEMBL9005940 0.86 MAPT (0.61) RAB9AMAPTNPC1MAPK1KDM4E
Acetophenone SCHEMBL27096615 0.86 RAB9A (0.67) RAB9AMAPTNPC1MAPK1KDM4E

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-20120165227-A1 COMPOUNDS AND METHODS FOR DETECTION AND QUANTIFICATION OF CARBOXYLIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-06-28 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-20120165227-A1 COMPOUNDS AND METHODS FOR DETECTION AND QUANTIFICATION OF CARBOXYLIC ACIDS AKR1C3, AR, AKR1C4 RAB9A 1407/4885MAPT 4517/4885NPC1 1025/4885

“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.