SCHEMBL14719787

SCHEMBL14719787

CC[C@@H](COC(=O)Nc1cc2ccccc2cn1)N(NCc1ccccc1Cl)C(C)=O.CC[C@@H](COC(=O)Nc1nc2ccc(C)cc2s1)N(NCc1ccccc1Cl)C(C)=O.O=C(Nc1nc2ccccc2s1)OCCN(CCO)C(=O)NCc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
STAT1 P42224 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TSHR P16473 1/20 0.34
MAPT P10636 6/20 0.34
GAA P10253 1/20 0.34
CASR P41180 1/20 0.33
KLF5 Q13887 1/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL211439 0.82 CSNK1D (0.40) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL212473 0.78 RAB9A (0.51) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2723486 0.76 CSNK1D (0.48) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL213093 0.75 CSNK1D (0.47) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL209776 0.73 CSNK1D (0.51) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL212984 0.73 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL210644 0.72 NOTUM (0.36) CSNK1DNPC1ALDH1A1MAPTLMNA
SCHEMBL2721521 0.72 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL210077 0.72 NOTUM (0.36) CSNK1DNPC1ALDH1A1MAPTHTT
SCHEMBL212590 0.71 CTSK (0.36) CSNK1DALDH1A1MAPTLMNA

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
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CSNK1D 754/4885NPC1 4684/4885RAB9A 2065/4885

“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.