SCHEMBL12945871

SCHEMBL12945871

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.45
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 11/20 0.42
▸ HTT P42858 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MT-CO2 P00403 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL12945874 0.88 ADAM17 (0.62) ADAM17MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL12945694 0.80 ALDH1A1 (0.44) MAPTALDH1A1HTTPKMSMN1; SMN2
SCHEMBL20750037 0.78 DDAH1 (0.51) MAPTRAB9AALDH1A1HTTPKM
SCHEMBL25773657 0.78 ADAM17 (0.70) ADAM17MAPTRAB9AALDH1A1HTT
SCHEMBL19194944 0.78 GAA (0.59) ADAM17MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16566170 0.77 ALDH1A1 (0.50) ADAM17MAPTALDH1A1HTTTDP1
SCHEMBL18469647 0.75 ALDH1A1 (0.40) MAPTALDH1A1HTTPKMSMN1; SMN2
SCHEMBL16681934 0.74 ALDH1A1 (0.47) MAPTRAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL13057575 0.74 ADAM17 (0.50) ADAM17MAPTRAB9AALDH1A1HTT
SCHEMBL13057572 0.74 GAA (0.52) ADAM17MAPTRAB9AALDH1A1HTT

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
US-9463252-B2 Auristatin drug linker conjugates SEATTLE GENETICS, INC. (US) 2016-10-11 — — US disclosed
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2014-02-20 — — US 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 (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-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ADAM17 294/4885MAPT 686/4885RAB9A 2870/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB ADAM17 294/4885MAPT 686/4885RAB9A 2870/4885

“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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