SCHEMBL3096733

SCHEMBL3096733

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
EP300 Q09472 1/20 0.46
KCNH2 Q12809 4/20 0.45
ACHE P22303 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL3098016 0.95 ALOX5 (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3104835 0.94 KCNH2 (0.53) KCNH2ACHE
SCHEMBL13158408 0.83 MEN1 (0.54) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5814697 0.83 MEN1 (0.38) KMT2AMEN1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3104691 0.82 MEN1 (0.52) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL5819500 0.81 HTR2A (0.42) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL5817158 0.81 KCNH2 (0.58) KCNH2ACHE
SCHEMBL13158406 0.81 NPC1 (0.47) KDM4EMAPTKCNH2ACHELMNA
SCHEMBL5817752 0.80 KCNH2 (0.56) KCNH2ACHE
Hydrochloric Acid SCHEMBL3105077 0.80 NPC1 (0.49) KDM4EMAPTKCNH2ACHELMNA

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 KMT2A 3421/4885MEN1 1635/4885KDM4E 2081/4885

“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.