SCHEMBL12729936

SCHEMBL12729936

CCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HLCS P50747 3/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ CNR1 P21554 2/20 0.64
▸ CNR2 P34972 2/20 0.62
▸ F2 P00734 1/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ TPSAB1 Q15661 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ IDE P14735 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RIN1 Q13671 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ PLCD1 P51178 1/20 0.60
▸ CA12 O43570 1/20 0.60

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
SCHEMBL13045403 1.00 HLCS (0.71) HLCSTDP1CNR1CNR2F2
SCHEMBL15870672 1.00 HLCS (0.71) HLCSTDP1CNR1CNR2F2
SCHEMBL7376597 1.00 HLCS (0.71) HLCSTDP1CNR1CNR2F2
SCHEMBL12320610 1.00 HLCS (0.71) HLCSTDP1CNR1CNR2F2
SCHEMBL22493325 1.00 HLCS (0.71) HLCSTDP1CNR1CNR2F2
SCHEMBL8240579 0.99 TDP1 (0.72) HLCSTDP1CNR1CNR2F2
SCHEMBL17704089 0.99 TDP1 (0.72) HLCSTDP1CNR1CNR2F2
SCHEMBL6941477 0.99 TDP1 (0.72) HLCSTDP1CNR1CNR2F2
SCHEMBL18513310 0.96 TDP1 (0.66) HLCSTDP1CNR1CNR2F2
SCHEMBL17881931 0.96 TDP1 (0.71) HLCSTDP1CNR1CNR2F2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9844764-B2 Protein or peptide printing method, protein array or peptide array, and functional protein or functional peptide identification method UNIVERSITY OF TOKYO (JP) 2017-12-19 — — US disclosed
US-9493444-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2016-11-15 — — US disclosed
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-01-01 — — US disclosed
US-8293725-B2 Peptidomimetic inhibitors of PSMA, compounds comprising them, and methods of use CANCER TARGETED TECHNOLOGY LLC (US) 2012-10-23 — — US disclosed
US-8293725-B2 Peptidomimetic inhibitors of PSMA, compounds comprising them, and methods of use CANCER TARGETED TECHNOLOGY LLC (US) 2012-10-23 — — US disclosed
US-RE42275-E1 Peptidomimetic inhibitors of PSMA, compounds comprising them, and methods of use CANCER TARGETED TECHNOLOGY LLC (US) 2011-04-05 — — US disclosed
US-RE42275-E1 Peptidomimetic inhibitors of PSMA, compounds comprising them, and methods of use CANCER TARGETED TECHNOLOGY LLC (US) 2011-04-05 — — US disclosed
US-20100183517-A1 Peptidomimetic Inhibitors Of PSMA, Compounds Comprising Them, And Methods Of Use CANCER TARGETED TECHNOLOGY LLC (US) 2010-07-22 — — US disclosed
US-20100183517-A1 Peptidomimetic Inhibitors Of PSMA, Compounds Comprising Them, And Methods Of Use CANCER TARGETED TECHNOLOGY LLC (US) 2010-07-22 — — US 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 (2 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-20100183517-A1 Peptidomimetic Inhibitors Of PSMA, Compounds Comprising Them, And Methods Of Use FOLH1, PSMA1, DNPEP HLCS 2202/4885TDP1 4028/4885CNR1 4373/4885
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS PCNA, CDKN1A, CCNC HLCS 1165/4885TDP1 1163/4885CNR1 2145/4885

“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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