SCHEMBL5461816

SCHEMBL5461816

CCCCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 4/20 0.73
▸ ALDH1A1 P00352 3/20 0.70
▸ POLB P06746 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ KMT2A Q03164 8/20 0.66
▸ MAPT P10636 3/20 0.66
▸ JAK2 O60674 1/20 0.66
▸ MITF O75030 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ MEN1 O00255 6/20 0.65
▸ ATM Q13315 3/20 0.65
▸ KDM4E B2RXH2 3/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ F2R P25116 2/20 0.64
▸ BRSK1 Q8TDC3 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61

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
SCHEMBL5449881 0.92 CXCR3 (0.77) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14373251 0.88 CXCR3 (0.81) CXCR3SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5461913 0.87 CXCR3 (0.76) CXCR3ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL14373604 0.87 CXCR3 (0.68) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14373594 0.86 BRSK1 (0.80) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14373630 0.85 BRSK1 (0.62) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14758273 0.84 CXCR3 (1.00) CXCR3POLBSMN1; SMN2KMT2AMAPT
SCHEMBL14373248 0.84 CXCR3 (0.70) CXCR3SMN1; SMN2KMT2AMAPTMITF
SCHEMBL14470430 0.82 CXCR3 (0.69) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL5458738 0.82 CXCR3 (0.80) CXCR3ALDH1A1POLBSMN1; SMN2KMT2A

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885ALDH1A1 39/4885POLB 2088/4885

“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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