SCHEMBL14745117

SCHEMBL14745117

Clc1ccc(Cl)c(-c2cn3ccccc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.63
NPC1 O15118 15/20 0.63
KDM4E B2RXH2 12/20 0.56
PKM P14618 5/20 0.56
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 6/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
TLR9 Q9NR96 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GFER P55789 2/20 0.48
GAA P10253 1/20 0.48
MIF P14174 1/20 0.48

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
SCHEMBL1691402 0.88 RAB9A (0.63) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL14739464 0.79 RAB9A (0.41) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1430162 0.78 RAB9A (1.00) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL22614993 0.77 RAB9A (0.69) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL6391701 0.77 RAB9A (0.69) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL22627468 0.77 RAB9A (0.56) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL25790029 0.76 RAB9A (0.97) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL31731985 0.76 RAB9A (0.67) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL4713116 0.75 NPC1 (0.76) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL19807809 0.74 NPC1 (0.65) RAB9ANPC1KDM4EPKMALDH1A1

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
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO 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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 RAB9A 1654/4885NPC1 857/4885KDM4E 4392/4885

“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.