Sugi Predict

Sugi Predict / Compounds / SCHEMBL694660

SCHEMBL694660

SCHEMBL694660

CN(C)/C=C(\C(=O)c1ccc(I)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CA9 Q16790 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL694661 1.00 LMNA (0.43) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL4744617 0.89 LMNA (0.45) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL544739 0.89 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL544738 0.89 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL31204574 0.89 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL11890416 0.89 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL31391139 0.89 LMNA (0.53) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL695687 0.86 LMNA (0.43) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL695688 0.86 LMNA (0.43) LMNAGAAKMT2AALDH1A1MEN1
SCHEMBL15445119 0.78 CES1 (0.40) LMNAALDH1A1CA9CA12SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421864-B1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-08-06 — — EP disclosed
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 — — US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 — — US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 — — EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 — — WO 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-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS LMNA 1493/4885GAA 3828/4885KMT2A 3503/4885

“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.