SCHEMBL16178490

SCHEMBL16178490

Fc1ccc([CH]Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41
BCL2A1 Q16548 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 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
SCHEMBL9588199 0.89 HSD17B10 (0.50) MAPTALDH1A1NPC1HSD17B10HTT
SCHEMBL8364378 0.89 TRPA1 (0.45) NPC1KMT2ARAB9ATRPA1
SCHEMBL27811355 0.85 MAPT (0.46) MAPTTHRBALDH1A1NPC1HSD17B10
SCHEMBL28354373 0.81 MAPT (0.49) MAPTTHRBALDH1A1NPC1HTT
SCHEMBL6207299 0.80 MEN1 (0.42) ALDH1A1HSD17B10HTTKMT2AMEN1
SCHEMBL2564898 0.80 NPC1 (0.46) MAPTNPC1HSD17B10KMT2AMEN1
SCHEMBL3274573 0.80 NFE2L2 (0.57) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8210813 0.79 NFE2L2 (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL654153 0.79 NFE2L2 (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8196750 0.79 G6PC1 (0.49) MAPTHSD17B10KMT2AMEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 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-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 MAPT 2435/4885THRB 222/4885ALDH1A1 807/4885

“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.