SCHEMBL7550196

SCHEMBL7550196

CCCCc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ACHE P22303 5/20 0.48
MPL P40238 2/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46

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
SCHEMBL7548588 0.84 ACHE (0.49) HDAC6ACHEHTR1ADRD2HTR2A
SCHEMBL7550044 0.84 ACHE (0.65) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7553809 0.83 HRH4 (0.51) HDAC6ACHECHEK2CCR2
SCHEMBL7548311 0.83 DPP7 (0.53) HDAC6ACHEHTR1ADRD2HTR2A
SCHEMBL7549395 0.83 ACHE (0.50) HDAC6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL7157090 0.83 ACHE (0.56) HDAC6ACHEDRD2LMNATSHR
SCHEMBL7550201 0.82 CCR2 (0.67) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7554506 0.81 ACHE (0.62) ACHEDRD2CYP1A2CYP2D6TSHR
SCHEMBL7553785 0.81 CCR2 (0.62) HDAC6ACHECHEK2CCR2
SCHEMBL9295731 0.80 MPL (0.67) HDAC6HDAC3HDAC1HDAC2HDAC8

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US claimed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 US claimed

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 HDAC6 737/4885HDAC3 74/4885HDAC1 175/4885

“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.