SCHEMBL3442699

SCHEMBL3442699

O=c1[nH]c(CCN2CCC(O)CC2)cc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ PARP1 P09874 6/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ APAF1 O14727 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ TNKS O95271 4/20 0.41
▸ TNKS2 Q9H2K2 4/20 0.41
▸ TERT O14746 2/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACG P22612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ CCND1 P24385 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
SCHEMBL3442421 0.93 CHRNA7 (0.48) CHRNA7HRH3LOXL2PARP1PARP2
SCHEMBL3443091 0.85 KDM4E (0.56) CHRNA7HRH3LOXL2PARP1KDM4E
SCHEMBL3442646 0.85 PARP1 (0.45) CHRNA7LOXL2PARP1PARP2TNKS
SCHEMBL6643929 0.85 HRH3 (0.67) CHRNA7HRH3LOXL2PARP1APAF1
SCHEMBL6645634 0.84 HRH3 (0.65) CHRNA7HRH3LOXL2PARP1APAF1
SCHEMBL6648629 0.84 HRH3 (0.65) CHRNA7HRH3LOXL2PARP1APAF1
SCHEMBL3442539 0.83 PARP1 (0.64) CHRNA7PARP1PARP2TNKSTERT
SCHEMBL13122435 0.80 PARP1 (0.54) CHRNA7HRH3LOXL2PARP1APAF1
SCHEMBL6646614 0.77 PARP1 (0.60) HRH3LOXL2PARP1PARP2APAF1
SCHEMBL3442331 0.76 PARP1 (0.46) CHRNA7PARP1PARP2TNKSCCNE2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 — — US claimed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 — — US claimed
EP-1557414-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-07-27 — — EP claimed
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 — — US claimed
US-7812178-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-12 — — US disclosed
US-7812178-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-12 — — US disclosed
US-7812178-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-10-12 — — US disclosed
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 — — US disclosed
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 — — US disclosed
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 — — US disclosed
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 — — US disclosed
US-7459465-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-12-02 — — US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 — — US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 — — US disclosed
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-07-12 — — US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 — — US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 — — US disclosed
US-7220759-B2 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-05-22 — — US disclosed
EP-1557414-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-07-27 — — EP disclosed
US-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-09 — — 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 (3 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-20040248931-A1 Isoquinoline compound and pharmaceutical use thereof NQO1, PARP1, PARP11 CHRNA7 1223/4885HRH3 1161/4885LOXL2 4694/4885
US-20090076276-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 CHRNA7 1219/4885HRH3 1150/4885LOXL2 4680/4885
US-20070161620-A1 ISOQUINOLINE COMPOUND AND PHARMACEUTICAL USE THEREOF NQO1, PARP1, NUDT1 CHRNA7 1219/4885HRH3 1150/4885LOXL2 4680/4885

“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.

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