SCHEMBL928764

SCHEMBL928764

COc1ccc2c(c1)c(CCl)nn2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PLA2G2A P14555 7/20 0.46
PLA2G1B P04054 1/20 0.46
HTR6 P50406 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL927453 0.90 PDE5A (0.56) CNR1CNR2PDE5AALDH1A1POLB
SCHEMBL929883 0.80 SLC16A3 (0.74)
SCHEMBL18322342 0.80 ALDH1A1 (0.63) PDE5AALDH1A1PTGDR2PLA2G2APLA2G1B
SCHEMBL928072 0.78 CNR1 (0.56) CNR1CNR2PDE5AALDH1A1POLB
SCHEMBL29562238 0.78 CNR1 (0.56) CNR1CNR2PDE5AALDH1A1POLB
SCHEMBL1651401 0.78 SLC16A3 (0.62) PLA2G2A
SCHEMBL929869 0.77 ELANE (0.56) CNR1CNR2ALDH1A1KMT2APTGDR2
SCHEMBL8450448 0.76 AKR1C3 (0.51) CNR1CNR2PDE5AKMT2APTGDR2
SCHEMBL8446764 0.76 CNR1 (0.58) CNR1CNR2PDE5AKMT2APTGDR2
SCHEMBL1120899 0.76 PDE5A (0.58) CNR1CNR2PDE5AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2254870-B1 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CX3CR1 ACRAF (IT) 2016-02-24 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-8283348-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) 2012-10-09 US disclosed
US-20110160205-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) 2011-06-30 US disclosed
US-7919518-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) 2011-04-05 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
US-20100311744-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) 2010-12-09 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 (3 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-20110160205-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 CNR1 60/4885CNR2 137/4885PDE5A 1342/4885
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 CNR1 60/4885CNR2 137/4885PDE5A 1342/4885
US-20100311744-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 CNR1 60/4885CNR2 137/4885PDE5A 1342/4885

“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.