SCHEMBL1720030

SCHEMBL1720030

Cc1nn(CCO)c(N)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 8/20 0.61
RAB9A P51151 11/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NPC1 O15118 11/20 0.54
SMN1; SMN2 Q16637 9/20 0.54
HPGD P15428 4/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 5/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HCRTR1 O43613 1/20 0.50

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
SCHEMBL4219600 0.76 MAPT (1.00) POLBGAAMAPTRAB9AMEN1
SCHEMBL1801451 0.74 ESR1 (0.43) GAAMAPTSMN1; SMN2HPGDLMNA
SCHEMBL12335146 0.72 CYP1A2 (0.41) POLBGAAMAPTCYP1A2LMNA
SCHEMBL33720 0.72 HTT (0.44) POLBGAAMAPTMEN1KMT2A
SCHEMBL10927961 0.71 MAPT (0.66) POLBGAAMAPTRAB9AMEN1
SCHEMBL891383 0.71 SMN1; SMN2 (0.64) POLBGAAMAPTRAB9AMEN1
Hydrochloric Acid SCHEMBL6278290 0.71 HTT (0.42) POLBGAAMAPTMEN1KMT2A
SCHEMBL11577752 0.70 SMN1; SMN2 (1.00) POLBGAAMAPTRAB9ANPSR1
SCHEMBL23398491 0.70 GAA (0.48) POLBGAAMAPTRAB9AMEN1
SCHEMBL18740054 0.69 MAPK1 (0.55) GAAMAPTRAB9AMEN1KMT2A

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
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 POLB 42/4885GAA 505/4885MAPT 815/4885

“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.