SCHEMBL19086213

SCHEMBL19086213

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)Nc3cccc(C)c3C)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PRMT5 O14744 5/20 0.36
WDR77 Q9BQA1 5/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
BTK Q06187 2/20 0.34
HCRTR2 O43614 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
SCHEMBL19086008 0.88 KDM1A (0.42) KDM1AALDH1A1PRMT5WDR77TDP1
SCHEMBL19086987 0.88 KDM1A (0.38) KDM1AMAPTPRMT5WDR77HDAC6
SCHEMBL19086335 0.86 HDAC6 (0.39) KMT2APRMT5WDR77TDP1HDAC6
SCHEMBL19086218 0.85 KDM1A (0.48) KDM1AKMT2AMAPTLMNAALDH1A1
SCHEMBL19086244 0.84 HCRTR2 (0.39) KDM1AMAPTLMNAALDH1A1RAB9A
SCHEMBL19086007 0.84 PRMT5 (0.40) KMT2AMAPTALDH1A1PRMT5WDR77
SCHEMBL19086242 0.83 KDM1A (0.41) KDM1AMAPTLMNAALDH1A1RAB9A
SCHEMBL19086009 0.83 KMT2A (0.42) KMT2APRMT5WDR77MEN1SMN1; SMN2
SCHEMBL19086194 0.82 PRMT5 (0.43) KMT2APRMT5WDR77HCRTR2
SCHEMBL19086201 0.82 PRMT5 (0.40) ALDH1A1PRMT5WDR77HDAC6

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 KDM1A 1483/4885KMT2A 2359/4885MAPT 3941/4885

“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.