SCHEMBL6846384

SCHEMBL6846384

COC(=O)C(C)n1c(C)ccc(N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.35
PHGDH O43175 1/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11488582 0.83 ALDH1A1 (0.41) ALDH1A1HTTKDM4ERAB9ALMNA
SCHEMBL948599 0.82 ALDH1A1 (0.41) ALDH1A1HTTKDM4ERAB9AMAPT
SCHEMBL14370009 0.80 ALDH1A1 (0.35) ALDH1A1HTTKDM4ERAB9ALMNA
SCHEMBL2801277 0.76 CASP1 (0.41) ALDH1A1KDM4ELMNAMAPTNPC1
SCHEMBL952143 0.72 ELANE (0.39) ALDH1A1KDM4EMAPTNPC1TP53
SCHEMBL27546454 0.72 ELANE (0.39) ALDH1A1KDM4EMAPTNPC1TP53
SCHEMBL16018328 0.69 HTT (0.40) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL6852036 0.69 ELANE (0.54) HTTRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL7330645 0.69 KDM4E (0.46) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL6850665 0.69 F2 (0.55)

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-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-20030092679-A1 Novel non-convalent thrombin inhibitors DENDREON PHARMACEUTICALS LLC 2003-05-15 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-20030092679-A1 Novel non-convalent thrombin inhibitors F2, SERPINC1, F2RL3 ALDH1A1 4674/4885HTT 3323/4885KDM4E 3434/4885

“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.