SCHEMBL8510224

SCHEMBL8510224

CC(=O)N(CCOC(=O)Nc1nc2ccc(C(N)=O)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.49
▸ CSNK1D P48730 5/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ LCK P06239 4/20 0.45
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ STAT1 P42224 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PIK3CA P42336 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
SCHEMBL211695 0.91 NPC1 (0.55) CSNK1DHSD17B10LCKNPC1RAB9A
SCHEMBL210507 0.88 CSNK1D (0.47) DYRK1ACSNK1DLCKNPC1RAB9A
SCHEMBL4342546 0.88 RAB9A (0.58) DYRK1ACSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL211547 0.87 CSNK1D (0.46) CSNK1DLCKNPC1RAB9ASMN1; SMN2
SCHEMBL211950 0.86 CSNK1D (0.45) CSNK1DLCKNPC1RAB9ASMN1; SMN2
SCHEMBL2724495 0.85 CSNK1D (0.47) DYRK1ACSNK1DHSD17B10LCKNPC1
SCHEMBL8535100 0.83 SMN1; SMN2 (0.53) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4347836 0.82 CSNK1D (0.51) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8509643 0.81 KMT2A (0.48) DYRK1ACSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL210936 0.80 ALDH1A1 (0.41) CSNK1DHSD17B10NPC1RAB9ASMN1; SMN2

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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 DYRK1A 4356/4885CSNK1D 754/4885HSD17B10 2636/4885

“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.

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