SCHEMBL4280628

SCHEMBL4280628

CCC1([CH]CCOC(N)=O)CCC2(CC1)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL4287030 0.72 JAK2 (0.35) KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL7756991 0.63
SCHEMBL21469685 0.63 KMT2A (0.41) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL29285117 0.62 POLB (0.36) KMT2A
SCHEMBL22955528 0.62 ALDH1A1 (0.41) KMT2AALOX15TSHRALDH1A1L3MBTL1
SCHEMBL14212551 0.62 ALDH1A1 (0.41) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL17110194 0.61 KMT2A (0.41) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL1812258 0.61 ALDH1A1 (0.43) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL20813 0.61 ALDH1A1 (0.43) KMT2ATSHRALDH1A1LMNACYP2C19
SCHEMBL22510982 0.61 ALDH1A1 (0.41) KMT2ATSHRALDH1A1L3MBTL1LMNA

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-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 KMT2A 2307/4885ALOX15 3789/4885TSHR 4168/4885

“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.