SCHEMBL567446

SCHEMBL567446

CC(C)(C)OC(=O)NCC(=O)N1CCCN(S(=O)(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 7/20 0.53
MMP1 P03956 2/20 0.47
MMP13 P45452 2/20 0.47
MMP9 P14780 1/20 0.47
PKM P14618 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADAM17 P78536 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
JAK3 P52333 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL568155 0.85 ATM (0.50) PKMLMNAATMSMN1; SMN2ALDH1A1
SCHEMBL567803 0.85 MMP13 (0.57) PRMT3MMP1MMP13MMP9ADAM17
SCHEMBL567385 0.84 ATM (0.50) PKMLMNAATMSMN1; SMN2ALDH1A1
SCHEMBL567769 0.83 MMP13 (0.55) PRMT3MMP1MMP13MMP9ADAM17
SCHEMBL4194658 0.83 ROCK2 (0.59) SMN1; SMN2MEN1KMT2AROCK2ROCK1
SCHEMBL567503 0.81 ATM (0.54) PKMLMNAGAAATMSMN1; SMN2
SCHEMBL10135798 0.81 PRMT3 (0.52) PRMT3MEN1KMT2AROCK2
SCHEMBL566185 0.80 ATM (0.53) PRMT3PKMLMNAGAAATM
Hydrochloric Acid SCHEMBL567277 0.80 ATM (0.52) PRMT3PKMLMNAGAAATM
SCHEMBL4194503 0.78 ROCK2 (0.49) MMP1MMP13MMP9PKMROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 PRMT3 237/4885MMP1 4000/4885MMP13 4729/4885

“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.