SCHEMBL16029572

SCHEMBL16029572

Cn1c(N)c(NC(=O)C=Cc2ccccc2)c(=O)n(C)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MMP1 P03956 9/20 0.49
▸ MMP2 P08253 9/20 0.49
▸ MMP9 P14780 9/20 0.49
▸ EGFR P00533 8/20 0.49
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ TERT O14746 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL16029571 1.00 RAB9A (0.58) RAB9AKMT2AALDH1A1LMNAHTT
SCHEMBL5094443 0.77 MAPT (0.50) RAB9AKMT2AALDH1A1LMNAHTT
SCHEMBL28449565 0.70 MMP1 (0.71) RAB9AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL28449561 0.70 MMP1 (0.71) RAB9AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL11576171 0.68 MMP1 (0.71) RAB9AKMT2AMMP1MMP2MMP9
SCHEMBL11575343 0.68 MMP1 (0.71) RAB9AKMT2AMMP1MMP2MMP9
SCHEMBL13755322 0.68 MMP1 (0.63) RAB9AKMT2ALMNAHTTSMN1; SMN2
SCHEMBL29564507 0.68 MAPT (0.60) RAB9AKMT2AALDH1A1LMNAHTT
SCHEMBL10492424 0.67 MMP1 (0.80) RAB9AMMP1MMP2MMP9EGFR
N-Phenylcinnamamide SCHEMBL4205896 0.67 MMP1 (1.00) RAB9AKMT2ASMN1; SMN2MMP1MMP2

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-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 — — EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 — — US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 — — 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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 RAB9A 3823/4885KMT2A 4201/4885ALDH1A1 1647/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 RAB9A 3823/4885KMT2A 4201/4885ALDH1A1 1647/4885

“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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