SCHEMBL4485015

SCHEMBL4485015

O=C(O)c1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.71
DBF4 Q9UBU7 4/20 0.71
PTGDR2 Q9Y5Y4 7/20 0.64
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 2/20 0.64
POLB P06746 2/20 0.64
NPC1 O15118 1/20 0.64
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54

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
SCHEMBL974859 0.91 CDC7 (0.84) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL16113884 0.83 CDC7 (1.00) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL14345711 0.83 PTGDR2 (0.69) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL11286855 0.81 SMN1; SMN2 (0.54) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL11462189 0.81 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL11460695 0.81 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3056066 0.81 CDC7 (0.65) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL11284205 0.81 KDM4E (0.58) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8823109 0.81 CDC7 (0.61) CDC7DBF4PTGDR2KDM4EALDH1A1
SCHEMBL14705597 0.80 KDM4E (0.53) CDC7DBF4PTGDR2KDM4EALDH1A1

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
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 CDC7 3776/4885DBF4 1455/4885PTGDR2 924/4885

“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.