SCHEMBL3098016

SCHEMBL3098016

COc1ccc(-c2nc(C3CCNCC3)sc2-c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
ACHE P22303 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNH2 Q12809 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
EP300 Q09472 1/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
GABRA1 P14867 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
SCHEMBL3096733 0.95 KMT2A (0.49) ACHEKMT2AMEN1KDM4EMAPT
SCHEMBL3104835 0.89 KCNH2 (0.53) ACHEKCNH2
SCHEMBL13158406 0.86 NPC1 (0.47) ACHEKDM4EMAPTKCNH2LMNA
Hydrochloric Acid SCHEMBL3105077 0.85 NPC1 (0.49) ACHEKDM4EMAPTKCNH2LMNA
SCHEMBL2150590 0.81 ACHE (0.43) ALOX5ACHEKMT2AMEN1KDM4E
SCHEMBL13158408 0.79 MEN1 (0.54) ACHEKMT2AMEN1KDM4EMAPT
SCHEMBL5814697 0.79 MEN1 (0.38) ACHEKMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL3104691 0.78 MEN1 (0.52) ACHEKMT2AMEN1KDM4EMAPT
SCHEMBL5819500 0.77 HTR2A (0.42) ACHEKMT2AMEN1KCNH2HTR2A
SCHEMBL5817158 0.77 KCNH2 (0.58) ACHEKCNH2

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 4 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
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 ALOX5 1105/4885ACHE 51/4885KMT2A 3421/4885

“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.