SCHEMBL5480663

SCHEMBL5480663

COc1nc2ccccc2cc1-c1cc2cc(CN3CCNCC3S(C)(=O)=O)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.38
HDAC3 O15379 6/20 0.37
HDAC1 Q13547 6/20 0.37
KDR P35968 3/20 0.37
BTK Q06187 1/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5443779 0.82 CHEK1 (0.46) CHEK1BTK
SCHEMBL4891384 0.80 CHEK1 (0.45) CHEK1BTK
SCHEMBL14269691 0.77 CHEK1 (0.54) CHEK1KDR
SCHEMBL4888644 0.74 BTK (0.46) HDAC3HDAC1BTKHDAC2HDAC8
SCHEMBL5442086 0.69 BTK (0.50) HDAC3HDAC1BTK
SCHEMBL4884350 0.68 HTT (0.49) HDAC3HDAC1KDRBTKHDAC2
SCHEMBL4884627 0.68 BTK (0.52) CHEK1HDAC3HDAC1KDRBTK
SCHEMBL142414 0.66 CHEK1 (0.58) CHEK1KDR
SCHEMBL5480003 0.66 KDR (0.67) KDR
SCHEMBL5447656 0.66 KDR (0.57) HDAC3HDAC1KDRBTKHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles IDO1, IDO2, TPH1 CHEK1 3120/4885HDAC3 3727/4885HDAC1 3150/4885

“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.