SCHEMBL3671987

SCHEMBL3671987

OCCCn1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
BACE1 P56817 1/20 0.45
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 10/20 0.34
HRH3 Q9Y5N1 2/20 0.33
HTR3A P46098 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHEK1 O14757 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
WEE1 P30291 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
GUSB P08236 1/20 0.32
MAPT P10636 1/20 0.32
TRPC5 Q9UL62 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
SCHEMBL3675941 0.91 KMT2A (0.42) NUDT1BACE1KMT2AHRH4HRH3
SCHEMBL3670195 0.87 KDM4E (0.40) KMT2AHRH4HRH3HTR3AHPGD
SCHEMBL3666329 0.86 TLR8 (0.37) KMT2AHRH4HRH3HTR3AHPGD
SCHEMBL3668071 0.85 HPGD (0.38) HRH4HRH3HTR3AHPGDHTT
SCHEMBL3667095 0.85 PSEN1 (0.39) KMT2AHRH4
SCHEMBL3675495 0.83 HRH4 (0.41) HRH4HRH3HTR3ACHEK1WEE1
SCHEMBL3669322 0.83 HSP90B1 (0.37) NUDT1BACE1HRH4HRH3HTR3A
SCHEMBL3669424 0.82 PLAU (0.37) KMT2AHRH4HRH3HTR3AHPGD
SCHEMBL3673651 0.81 APOBEC3G (0.38) HRH4HRH3HTR3AHPGDHTT
SCHEMBL3672462 0.80 HRH4 (0.36) HRH4HRH3HTR3AHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 NUDT1 2531/4885BACE1 3389/4885KMT2A 3851/4885

“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.