SCHEMBL10167567

SCHEMBL10167567

O=S(=O)(c1ccc2cnccc2c1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HSD17B10 Q99714 2/20 0.61
PKM P14618 1/20 0.61
CASP1 P29466 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
NAMPT P43490 3/20 0.52
ATM Q13315 2/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL567602 0.83 PKM (0.68) TSHRKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL567331 0.82 PKM (0.66) TSHRKDM4EMEN1KMT2APKM
SCHEMBL567398 0.81 NAMPT (0.52) TSHRKDM4EHSD17B10PKMSMN1; SMN2
SCHEMBL20021982 0.81 PKM (0.89) TSHRKDM4EMEN1KMT2AHSD17B10
SCHEMBL29483657 0.81 PKM (0.89) TSHRKDM4EMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL567326 0.80 NAMPT (0.51) TSHRKDM4EHSD17B10PKMSMN1; SMN2
SCHEMBL567535 0.79 PKM (0.61) TSHRKDM4EMEN1KMT2APKM
SCHEMBL566231 0.78 PKM (0.60) TSHRKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL567234 0.78 PKM (0.60) TSHRKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL566456 0.77 PKM (0.59) TSHRKDM4EMEN1KMT2APKM

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-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
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 TSHR 2382/4885KDM4E 2806/4885MEN1 3295/4885

“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.