SCHEMBL18037014

SCHEMBL18037014

CC1(C)CCc2nc3cc(C=C(Cl)c4ccccn4)ccc3c(=O)n2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NSD2 O96028 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CFTR P13569 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 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
SCHEMBL14239406 1.00 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14239827 0.90 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL18037012 0.90 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14239410 0.83 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL18037017 0.83 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9994567 0.83 NPC1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6923280 0.83 NPC1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14238844 0.82 NPC1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL15817821 0.80 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14239972 0.79 LMNA (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 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 (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-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3436/4885NPC1 1920/4885ALDH1A1 2494/4885

“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.