SCHEMBL3094406

SCHEMBL3094406

[CH2]Cc1ccc(NC(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.64
▸ GAA P10253 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ TP53 P04637 2/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ CASP3 P42574 2/20 0.63
▸ SENP8 Q96LD8 2/20 0.63
▸ SENP7 Q9BQF6 2/20 0.63
▸ SENP6 Q9GZR1 2/20 0.63
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CCR2 P41597 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ THRA P10827 1/20 0.53
▸ POLB P06746 1/20 0.53

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
SCHEMBL17571940 0.88 RAB9A (0.68) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL3675929 0.85 TP53 (0.86) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL12189605 0.85 SMN1; SMN2 (0.62) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL3827286 0.82 HDAC1 (0.72) RAB9ATP53SMN1; SMN2NPC1CASP3
SCHEMBL20476334 0.81 SMN1; SMN2 (0.71) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL17664561 0.81 RAB9A (0.71) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL13814818 0.81 NR1H4 (0.58) RAB9AGAAHTTTP53SMN1; SMN2
SCHEMBL3670066 0.80 SMN1; SMN2 (0.72) RAB9AGAATP53SMN1; SMN2NPC1
SCHEMBL840495 0.80 PTPN1 (0.67) RAB9AHTTSMN1; SMN2NPC1MEN1
SCHEMBL12189683 0.80 PTPN1 (0.67) RAB9ATP53SMN1; SMN2NPC1CASP3

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-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 — — US disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 — — 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 RAB9A 2737/4885GAA 4725/4885HTT 1992/4885

“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.

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