SCHEMBL3098004

SCHEMBL3098004

COc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccc(OC)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 5/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47
▸ STS P08842 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ THRB P10828 1/20 0.44

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
SCHEMBL3097729 0.92 HTT (0.55) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3098736 0.91 HTT (0.54) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4946294 0.86 KDM1A (0.43) ALDH1A1
SCHEMBL3094206 0.86 MALT1 (0.43) ALDH1A1MAPTLMNATP53
SCHEMBL3100509 0.84 MEN1 (0.55) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3108416 0.84 HTT (0.54) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3098747 0.84 MEN1 (0.55) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3105412 0.81 PTGS2 (0.46) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL12614718 0.80 HTT (0.59) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3108442 0.78 TDP1 (0.52) HTTMEN1KMT2AKDM4EALDH1A1

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 HTT 736/4885MEN1 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.

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