SCHEMBL3099455

SCHEMBL3099455

Clc1ccc(-c2nc(C3CCNCC3)sc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 2/20 0.44
KCNH2 Q12809 5/20 0.42
HPGDS O60760 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL13158408 0.92 MEN1 (0.54) NPC1RAB9AMEN1KMT2AACHE
Hydrochloric Acid SCHEMBL3104691 0.91 MEN1 (0.52) NPC1RAB9AMEN1KMT2AACHE
SCHEMBL13158406 0.89 NPC1 (0.47) NPC1RAB9AACHEKCNH2KDM4E
Hydrochloric Acid SCHEMBL3105077 0.88 NPC1 (0.49) NPC1RAB9AACHEKCNH2KDM4E
Hydrochloric Acid SCHEMBL28426184 0.79 NPC1 (0.53) NPC1RAB9AMEN1KMT2AACHE
SCHEMBL3096733 0.79 KMT2A (0.49) MEN1KMT2AACHEKCNH2KDM4E
SCHEMBL2299320 0.77 MEN1 (0.52) NPC1RAB9AMEN1KMT2AKCNH2
SCHEMBL3658790 0.76 MEN1 (0.52) NPC1RAB9AMEN1KMT2AHPGDS
SCHEMBL13993235 0.76 ACHE (0.45) NPC1RAB9AACHEPTGDR2KDM4E
Bromide SCHEMBL2980010 0.76 MEN1 (0.51) NPC1RAB9AMEN1KMT2AKCNH2

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
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
CN-101454299-A Ureide derivative and use thereof for medical purposes TORAY INDUSTRIES (JP) 2009-06-10 CN disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 NPC1 1768/4885RAB9A 2013/4885MEN1 1635/4885

“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.