SCHEMBL928778

SCHEMBL928778

O=C(O)COCc1nn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.56
PTGER4 P35408 5/20 0.51
CNR1 P21554 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AKR1B1 P15121 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1651049 0.86 CNR1 (0.57) SLC16A3PTGER4CNR1HDAC3HDAC1
SCHEMBL929474 0.86 SLC16A3 (0.61) SLC16A3PTGER4CNR1AKR1B1HDAC3
SCHEMBL9321523 0.84 AKR1B1 (0.61) SLC16A3PTGER4CNR1PTGS1PTGS2
SCHEMBL927728 0.84 SLC16A3 (0.58) SLC16A3PTGER4CNR1AKR1B1HDAC3
SCHEMBL8415791 0.81 CNR1 (0.59) SLC16A3PTGER4CNR1PTGS1PTGS2
SCHEMBL1651003 0.81 SLC16A3 (0.64) SLC16A3PTGER4CNR1HDAC3HDAC1
SCHEMBL22849936 0.79 SLC16A3 (0.64) SLC16A3PTGER4CNR1HDAC3HDAC1
SCHEMBL1653152 0.79 SLC16A3 (0.58) SLC16A3PTGER4CNR1HDAC3HDAC1
SCHEMBL929442 0.79 PTGER4 (0.51) SLC16A3PTGER4CNR1PTGS1PTGS2
SCHEMBL927988 0.78 SLC16A3 (0.69) SLC16A3PTGER4CNR1AKR1B1HDAC3

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
EP-3181551-A1 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF CX3CR1 AND P40 Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-06-21 EP disclosed
EP-2254869-B1 NEUE 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF CX3CR1 UND P40 ACRAF (IT) 2017-05-31 EP disclosed
US-8835481-B2 1-benzyl-3-hydroxymethylindazole derivatives and use thereof in the treatment of diseases based on the expression of MCP-1, CX3CR1 and P40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-09-16 US disclosed
US-20110003874-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2011-01-06 US disclosed
EP-2254869-A2 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2010-12-01 EP disclosed
WO-2009109613-A2 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-09-11 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 (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-20110003874-A1 NOVEL 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 AND P40 CX3CR1, CCR2, CCR5 SLC16A3 2368/4885PTGER4 1150/4885CNR1 60/4885

“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.