SCHEMBL17933958

SCHEMBL17933958

NCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.74
▸ CA12 O43570 4/20 0.64
▸ CA1 P00915 4/20 0.64
▸ CA2 P00918 4/20 0.64
▸ CA9 Q16790 4/20 0.64
▸ PKM P14618 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RIN1 Q13671 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ PLCD1 P51178 1/20 0.57
▸ HLCS P50747 1/20 0.56
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56

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
SCHEMBL17208802 1.00 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL15280591 1.00 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL6034966 1.00 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL7820513 0.97 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL288457 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL9733492 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL13049579 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL10308271 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL20483620 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL13065003 0.95 TDP1 (0.74) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968683-B2 Method for conjugating molecules ORGANOLINX CORP. (CA) 2018-05-15 — — US disclosed
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES ORGANOLINX CORP. (CA) 2016-07-21 — — 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 (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-20160206748-A1 METHOD FOR CONJUGATING MOLECULES AADAC, DDT, ALDH3A1 TDP1 3284/4885CA12 301/4885CA1 1251/4885

“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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