Sugi Predict

Sugi Predict / Compounds / SCHEMBL212428

SCHEMBL212428

SCHEMBL212428

[CH2][C@@H](O)C[C@@H](COC(=O)Nc1nc2ccccc2s1)N(NCc1cccc(F)c1Cl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ADORA1 P30542 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL214704 0.92 CSNK1D (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL210428 0.89 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL210430 0.89 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL211108 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL212429 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL212432 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2844884 0.82 CYP1A2 (0.35) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL2840024 0.82 P2RX4 (0.33) ALDH1A1MAPT
SCHEMBL210397 0.81 CSNK1D (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL210541 0.81 CSNK1D (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1

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 6 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-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885NPC1 4684/4885SMN1; SMN2 252/4885

“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.