SCHEMBL6485296

SCHEMBL6485296

CCC(Br)C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HDAC2 Q92769 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL9169273 0.82 ALDH1A1 (0.42) ALDH1A1POLBLMNATSHRHDAC2
SCHEMBL2224950 0.81 ALDH1A1 (0.37) ALDH1A1KMT2APOLBTSHRUSP2
SCHEMBL27468857 0.80 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRUSP2
SCHEMBL10810297 0.80 POLB (0.33) ALDH1A1POLBTSHRHDAC2EPHX1
SCHEMBL11519053 0.78 ALDH1A1 (0.35) ALDH1A1KMT2ANPC1
SCHEMBL2863347 0.78 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL2220595 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ACA1CA2ZDHHC7
SCHEMBL14112025 0.76 POLB (0.37) POLBLMNATSHRUSP2CA1
SCHEMBL12058916 0.76 TSHR (0.52) KMT2APOLBLMNATSHRUSP2
SCHEMBL5161306 0.75 ALDH1A1 (0.33) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR ALDH1A1 1851/4885KMT2A 2563/4885POLB 2091/4885

“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.