SCHEMBL19835441

SCHEMBL19835441

OCc1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.45
PDE10A Q9Y233 2/20 0.44
CCR1 P32246 1/20 0.41
S1PR4 O95977 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.38
S1PR3 Q99500 1/20 0.37
DPP4 P27487 2/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL19835660 0.85 GFER (0.46) NOTUMPDE10AKDM4ELMNAGAA
SCHEMBL19835438 0.84 PDE10A (0.45) NOTUMPDE10AKDM4ELMNAGAA
SCHEMBL2833283 0.81 S1PR3 (0.51) NOTUMPDE10ACCR1KDM4EL3MBTL1
SCHEMBL5365571 0.77 KMT2A (0.50) PDE10AKDM4ELMNAL3MBTL1PTGS2
SCHEMBL5943078 0.76 CNR1 (0.46) NOTUMKDM4ELMNAGAAL3MBTL1
SCHEMBL2829623 0.76 S1PR3 (0.57) PDE10AKDM4EL3MBTL1S1PR3DPP4
SCHEMBL3997120 0.76 S1PR3 (0.44) PDE10ALMNAL3MBTL1PTGS2MAPT
SCHEMBL2831647 0.74 S1PR3 (0.62) PDE10ALMNAMAPTS1PR3
SCHEMBL19835670 0.73 ALDH1A1 (0.46) PDE10AMAPT
SCHEMBL2833691 0.72 S1PR3 (0.60) PDE10AKDM4EMAPTS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 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 (2 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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 NOTUM 808/4885PDE10A 941/4885CCR1 1797/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 NOTUM 808/4885PDE10A 941/4885CCR1 1797/4885

“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.