SCHEMBL19086228

SCHEMBL19086228

Cc1ccc(F)cc1CNC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.46
PRMT5 O14744 6/20 0.44
WDR77 Q9BQA1 6/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
KDM1A O60341 4/20 0.42
MKNK1 Q9BUB5 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40

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
SCHEMBL19086028 0.81 ALDH1A1 (0.47) HDAC6PRMT5WDR77ALDH1A1KDM4E
SCHEMBL1174513 0.79 HDAC6 (0.72) HDAC6PRMT5WDR77KDM4EKDM1A
SCHEMBL16794217 0.77 BTK (0.60) HDAC6PRMT5WDR77NR1H2
SCHEMBL978284 0.75 HDAC6 (0.59) HDAC6PRMT5WDR77KDM4EMKNK1
SCHEMBL1174301 0.75 ADORA1 (0.57) HDAC6ALDH1A1KDM4ELMNAESR2
SCHEMBL19086033 0.75 ALDH1A1 (0.51) ALDH1A1KDM4ELMNA
SCHEMBL19085980 0.74 PRMT5 (0.40) HDAC6PRMT5WDR77
SCHEMBL19086223 0.74 METTL3 (0.43) HDAC6PRMT5WDR77ALDH1A1KDM4E
SCHEMBL743782 0.74 HDAC6 (0.54) HDAC6PRMT5WDR77ALDH1A1KDM4E
SCHEMBL8555269 0.74 HDAC6 (0.54) HDAC6KDM4EMKNK1ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed
US-20150290228-A1 ORAL FORMULATIONS OF CYTIDINE ANALOGS AND METHODS OF USE THEREOF CELGENE CORPORATION 2015-10-15 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-20150290228-A1 ORAL FORMULATIONS OF CYTIDINE ANALOGS AND METHODS OF USE THEREOF BCL6, BCL3, BCL9 HDAC6 971/4885PRMT5 2056/4885WDR77 345/4885

“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.