SCHEMBL4152289

SCHEMBL4152289

COC(=O)c1cc(C2=CC=NC2C(C)C)cc(-c2ccc(C)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.40
P2RX2 Q9UBL9 4/20 0.40
CYP46A1 Q9Y6A2 1/20 0.37
KDM1A O60341 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PTGS2 P35354 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC2 Q92769 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
JAK2 O60674 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSA P10619 2/20 0.33

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
SCHEMBL311863 0.73 CYP46A1 (0.44) P2RX3P2RX2CYP46A1KDM1AHDAC1
SCHEMBL3067373 0.73 NOTUM (0.47) CYP46A1KDM1AHDAC1HDAC6PTGS2
SCHEMBL3661320 0.72 CYP46A1 (0.40) P2RX3P2RX2CYP46A1KDM1AHDAC1
SCHEMBL406883 0.70 CYP46A1 (0.43) CYP46A1KDM1AHDAC1HDAC6NPC1
SCHEMBL3075053 0.70 HDAC1 (0.46) P2RX3P2RX2CYP46A1KDM1AHDAC1
SCHEMBL3662590 0.68 NOTUM (0.41) CYP46A1KDM1AHDAC1HDAC6PTGS2
SCHEMBL16510107 0.65 P2RX3 (0.45) P2RX3P2RX2KDM1AHDAC1HDAC6
SCHEMBL4214130 0.64 MAPK1 (0.49) CYP46A1KDM1AHDAC1HDAC6PDGFRB
SCHEMBL2260726 0.64 CYP46A1 (0.45) CYP46A1KDM1AHDAC1HDAC6NPC1
SCHEMBL13092857 0.64 P2RX3 (0.42) P2RX3P2RX2KDM1AHDAC1HDAC6

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-8440673-B2 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 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-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RX3 1/4885P2RX2 2/4885CYP46A1 3783/4885

“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.