SCHEMBL3094239

SCHEMBL3094239

COc1ccc(-c2cc(C3CCNCC3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 6/20 0.58
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRD1 P41143 1/20 0.47
PLAT P00750 1/20 0.46
HTR2C P28335 3/20 0.44
TDP1 Q9NUW8 1/20 0.41
TGFBR1 P36897 2/20 0.41
ACVR1 Q04771 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PTGS2 P35354 1/20 0.40
KDM1A O60341 1/20 0.40
ACVR1B P36896 1/20 0.40
KCNH2 Q12809 1/20 0.40
CREBBP Q92793 1/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL10681738 0.86 OPRD1 (0.49) EP300OPRD1HTR2CPTGS2HTR2A
SCHEMBL3096733 0.74 KMT2A (0.49) EP300MEN1KMT2AHTR2CKCNH2
SCHEMBL3088665 0.74 OPRD1 (0.46) EP300MEN1KMT2AOPRD1TDP1
SCHEMBL3088601 0.72 MEN1 (0.56) EP300MEN1KMT2APLATHTR2C
SCHEMBL6311284 0.71 HTR2C (0.50) MEN1KMT2AHTR2CTDP1HTR1A
SCHEMBL3110953 0.71 BRAF (0.49) EP300MEN1KMT2APLATHTR2C
SCHEMBL11520829 0.71 ESR1 (0.59) MEN1KMT2AOPRD1TDP1PTGS2
SCHEMBL10690054 0.71 OPRD1 (0.58) EP300OPRD1PTGS2
Water SCHEMBL7870821 0.70 HTR2C (0.49) MEN1KMT2AHTR2CTDP1HTR1A
SCHEMBL3098016 0.70 ALOX5 (0.47) EP300MEN1KMT2AHTR2CKCNH2

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 EP300 2758/4885MEN1 1635/4885KMT2A 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.