SCHEMBL19086210

SCHEMBL19086210

COc1cc2[nH]ncc2cc1C(=O)NCC(=O)N1CCc2sc(C(=O)Nc3ccccc3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.40
PRMT5 O14744 5/20 0.39
WDR77 Q9BQA1 5/20 0.39
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL19085988 0.86 HCRTR2 (0.40) PRMT5WDR77ALDH1A1CASP1CASP7
SCHEMBL19086208 0.79 KDM1A (0.44) KDM1APRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL19086230 0.78 MAOB (0.44) MAOBMAOA
SCHEMBL19086026 0.76 METTL3 (0.44) KDM1APRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL19085998 0.76 PRMT5 (0.39) KDM1APRMT5WDR77SMN1; SMN2HPGD
SCHEMBL19086183 0.74 KDM1A (0.40) KDM1AL3MBTL1HDAC6NPC1RAB9A
SCHEMBL19086240 0.74 EGFR (0.43) KDM1APRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL19086347 0.74 KDM1A (0.46) KDM1APRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL19085999 0.73 TRPV1 (0.41) PRMT5WDR77NPC1RAB9AMAOB
SCHEMBL19085981 0.73 TRPV1 (0.41) PRMT5WDR77NPC1RAB9AMAOB

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 1483/4885PRMT5 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.