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SCHEMBL3399600

SCHEMBL3399600

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(CCO)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CNOT7 Q9UIV1 4/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GCGR P47871 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
SCHEMBL3399430 0.92 GCGR (0.33) HSD11B1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2298208 0.88 TLR8 (0.34) HSD11B1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL2299677 0.88 ESR1 (0.38) MAPTRAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2300694 0.88 TLR8 (0.39) MAPTKDM4EMEN1ALDH1A1HPGD
SCHEMBL2297571 0.87 TLR8 (0.37) MAPTKDM4EGCGR
SCHEMBL2300163 0.87 SMN1; SMN2 (0.32) MAPTRAB9ASMN1; SMN2GAANPC1
SCHEMBL2300044 0.87 AURKA (0.38) SMN1; SMN2MEN1ALDH1A1KMT2ATSHR
SCHEMBL2299443 0.86 TLR8 (0.38) MAPTKDM4EGCGR
SCHEMBL2298814 0.86 KDM4E (0.42) MAPTKDM4EALDH1A1GAAGCGR
SCHEMBL2298472 0.85 RIPK3 (0.35) MAPTSMN1; SMN2KDM4EUSP2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 HSD11B1 3021/4885CDK1 1569/4885KDR 2614/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 HSD11B1 2689/4885CDK1 1434/4885KDR 2691/4885

“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.