SCHEMBL7035381

SCHEMBL7035381

BrNc1cccc2ncn(CC3CCCCC3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HSD17B13 Q7Z5P4 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GRM1 Q13255 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ PRPS1 P60891 1/20 0.35
▸ TEK Q02763 1/20 0.34

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
SCHEMBL12767959 0.73 HTT (0.75) NPSR1LMNATSHRHTTNAMPT
SCHEMBL7669922 0.72 TLR7 (0.45) NPSR1LMNAKDM4EALDH1A1
SCHEMBL9602827 0.72 NPSR1 (0.50) NPSR1LMNATSHRHTTNAMPT
SCHEMBL7031879 0.72 NPSR1 (0.41) NPSR1LMNATSHRHTTYTHDC1
SCHEMBL3025458 0.71 GABRG2 (0.41) NPSR1LMNATSHRHTTHSD17B13
SCHEMBL21883050 0.71 HTT (0.72) NPSR1LMNATSHRHTTNAMPT
Water SCHEMBL9602607 0.68 TLR7 (0.58) NPSR1LMNATSHRHTTALDH1A1
SCHEMBL7027628 0.67 ADRA2A (0.50) LMNANAMPTKDM4EALDH1A1HSD17B10
SCHEMBL10728919 0.67 YTHDC1 (0.46) NPSR1LMNATSHRHTTYTHDC1
SCHEMBL13533467 0.66 YTHDC1 (0.56) NPSR1LMNATSHRHTTYTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 — — 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-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 NPSR1 306/4885LMNA 1717/4885TSHR 210/4885

“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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