SCHEMBL566185

SCHEMBL566185

NCC(=O)N1CCCN(S(=O)(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
PKM P14618 4/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 4/20 0.51
PRMT3 O60678 5/20 0.50
ALDH1A1 P00352 4/20 0.49
GAA P10253 3/20 0.49
F10 P00742 1/20 0.46
GALR2 O43603 1/20 0.46
S1PR4 O95977 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK2 O75116 2/20 0.46
JAK2 O60674 1/20 0.45

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
Hydrochloric Acid SCHEMBL567277 0.99 ATM (0.52) ATMPKMRAB9AMEN1KMT2A
SCHEMBL568035 0.81 MMP1 (0.48) PRMT3ROCK2JAK2JAK3ROCK1
SCHEMBL568036 0.81 MMP1 (0.48) PRMT3ROCK2JAK2JAK3ROCK1
SCHEMBL568155 0.81 ATM (0.50) ATMPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL567446 0.80 PRMT3 (0.53) ATMPKMRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL566459 0.80 MMP1 (0.49) PRMT3ROCK2JAK2JAK3ROCK1
Hydrochloric Acid SCHEMBL566458 0.80 MMP1 (0.49) PRMT3ROCK2JAK2JAK3ROCK1
SCHEMBL567155 0.79 MMP1 (0.46) SMN1; SMN2LMNAPRMT3ALDH1A1ROCK2
SCHEMBL567154 0.79 MMP1 (0.46) SMN1; SMN2LMNAPRMT3ALDH1A1ROCK2
SCHEMBL567385 0.78 ATM (0.50) ATMPKMMEN1KMT2ASMN1; SMN2

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 12 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 claimed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US claimed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP claimed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US claimed
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
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 ATM 3162/4885PKM 3496/4885RAB9A 3306/4885

“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.