SCHEMBL3105412

SCHEMBL3105412

COc1ccc(-n2nc(C3CCNCC3)cc2-c2ccc(OC)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.46
▸ PTGS1 P23219 5/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM1A O60341 4/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ PLAT P00750 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
SCHEMBL3100346 0.89 MEN1 (0.52) PTGS2PTGS1MEN1KMT2ACYP1A2
SCHEMBL3093801 0.88 MEN1 (0.46) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL3096791 0.85 MEN1 (0.48) PTGS2PTGS1MEN1KMT2AMAPT
SCHEMBL3093919 0.84 KCNJ6 (0.50) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL3094206 0.82 MALT1 (0.43) PTGS2PTGS1ABCB11ALDH1A1KDM1A
SCHEMBL4946294 0.82 KDM1A (0.43) PTGS2PTGS1ABCB11ALDH1A1KDM1A
SCHEMBL3097657 0.82 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3093815 0.81 MAPT (0.47) MEN1KMT2AMAPTPLAT
SCHEMBL3104892 0.81 MEN1 (0.45) PTGS2PTGS1MEN1KMT2ACYP1A2
SCHEMBL3098004 0.81 HTT (0.53) ALDH1A1MEN1KMT2AMAPTTSHR

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
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — EP 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 PTGS2 567/4885PTGS1 871/4885ABCB11 1642/4885

“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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