SCHEMBL3093919

SCHEMBL3093919

COc1ccc(-c2cc(C3CCNCC3)nn2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.50
▸ KCNJ3 P48549 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KCNJ5 P48544 1/20 0.48
▸ RPA1 P27694 2/20 0.48
▸ PTGS2 P35354 5/20 0.45
▸ PTGS1 P23219 4/20 0.45
▸ CACNA1B Q00975 2/20 0.45
▸ KHK P50053 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 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
SCHEMBL3100346 0.94 MEN1 (0.52) KCNJ6KCNJ3MEN1KMT2ARPA1
SCHEMBL3096791 0.90 MEN1 (0.48) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL3093801 0.84 MEN1 (0.46) KCNJ6KCNJ3MEN1KMT2ARPA1
SCHEMBL2598511 0.84 L3MBTL1 (0.51) KCNJ6KCNJ3MEN1KMT2AKCNJ5
SCHEMBL3104892 0.84 MEN1 (0.45) KCNJ6KCNJ3MEN1KMT2APTGS2
SCHEMBL3105412 0.84 PTGS2 (0.46) MEN1KMT2APTGS2PTGS1CACNA1B
SCHEMBL13993244 0.80 MEN1 (0.42) KCNJ6KCNJ3MEN1KMT2ARPA1
SCHEMBL14504449 0.80 MGLL (0.52) KCNJ6KCNJ3KCNJ5RPA1PTGS2
SCHEMBL3097657 0.80 MAPT (0.42) KCNJ6KCNJ3MEN1KMT2AKCNJ5
SCHEMBL3098701 0.79 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5RPA1PTGS2

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 KCNJ6 2225/4885KCNJ3 2066/4885MEN1 1635/4885

“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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