SCHEMBL12945874

SCHEMBL12945874

CNCCNC(=O)c1ccc(N2C(=O)CC(S)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.62
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRNA10 Q9GZZ6 1/20 0.39
▸ CHRNA9 Q9UGM1 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
SCHEMBL12945871 0.88 ADAM17 (0.45) ADAM17RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL20750037 0.76 DDAH1 (0.51) RAB9AMAPTALDH1A1TDP1POLB
SCHEMBL24018628 0.71 ADAM17 (0.67) ADAM17MAPTALDH1A1
SCHEMBL20621743 0.70 ADAM17 (0.61) ADAM17
SCHEMBL19975822 0.69 ADAM17 (0.56) ADAM17MAPTALDH1A1L3MBTL1
SCHEMBL12945694 0.69 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL20796060 0.68 ADAM17 (0.61) ADAM17MAPTALDH1A1
SCHEMBL23351977 0.68 ADAM17 (0.54) ADAM17MAPTALDH1A1L3MBTL1
SCHEMBL1107141 0.67 LMNA (0.73) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL12945876 0.67 ALDH1A1 (0.36) ADAM17RAB9AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842575-A1 Auristatin drug linker conjugates Seattle Genetics, Inc. (US) 2015-03-04 — — EP disclosed
EP-2265283-B1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS INC (US) 2014-09-03 — — EP disclosed
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2011-01-27 — — 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-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ADAM17 294/4885RAB9A 2870/4885MAPT 686/4885

“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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