SCHEMBL3899982

SCHEMBL3899982

CCCc1ncc2ccccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 9/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL10272042 0.85 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL7983487 0.82 KDM4E (0.47) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL3798563 0.82 KDM4E (0.47) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL7979421 0.82 KDM4E (0.47) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL25243301 0.81 PDE10A (0.46) PDE10AALDH1A1KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3795323 0.81 KDM4E (0.46) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL8241371 0.79 KDM4E (0.44) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL20864246 0.78 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL24090159 0.78 KDM4E (0.50) PDE10AALDH1A1KDM4EMAPTTDP1
SCHEMBL24090169 0.77 KDM4E (0.49) PDE10AALDH1A1KDM4EMAPTTDP1

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-7501438-B2 Pyridoimidazole derivatives FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-10 US disclosed
US-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 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-20080009491-A1 1-(3-naphthalen-1-yl-imidazo[1,5-a]pyridin-1-yl)-butan-1-one; chronic pain, an inflammatory disorder, rheumatoid arthritis, multiple sclerosis, osteoporosis and osteoarthritis; cannabinoid receptor ligands CNR1, CNR2, OPRK1 PDE10A 3237/4885ALDH1A1 3016/4885KDM4E 2097/4885

“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.