SCHEMBL3254262

SCHEMBL3254262

COc1c(C(N)=O)nc(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
PKM P14618 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
KAT2B Q92831 1/20 0.43
NNMT P40261 1/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
IKBKB O14920 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NUDT1 P36639 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
SCHEMBL2017393 0.80 LMNA (0.47) KDM4EALDH1A1SMN1; SMN2LMNAADORA3
SCHEMBL1332816 0.75 POLB (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL13440421 0.74 MAPK1 (0.38) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL30223610 0.73 KDM4E (0.47) KDM4EALDH1A1LMNAADORA3PKM
SCHEMBL15090938 0.72 HSD17B10 (0.50) KDM4EALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL11286804 0.72 ALDH1A1 (0.54) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL26606779 0.71 THRB (0.46) KDM4EALDH1A1SMN1; SMN2LMNAADORA3
Hydrochloric Acid SCHEMBL3321697 0.70 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL13440420 0.70 MEN1 (0.49) KDM4EALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL10693072 0.69 POLB (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 KDM4E 4420/4885ALDH1A1 2938/4885MAPK1 2905/4885

“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.