SCHEMBL2297308

SCHEMBL2297308

CC(C)(c1ccc(Br)cc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.62
HSD11B1 P28845 2/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.35
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.33
FKBP1A P62942 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL12665881 0.98 CYP2B6 (0.66) CYP2B6HSD11B1HPGDALDH1A1CHEK1
SCHEMBL29173728 0.84 ALDH1A1 (0.46) CYP2B6HSD11B1HPGDALDH1A1SMN1; SMN2
SCHEMBL18580610 0.82 CYP2B6 (0.43) CYP2B6HSD11B1HPGDALDH1A1
SCHEMBL578326 0.82 ALDH1A1 (0.44) CYP2B6HSD11B1ALDH1A1SMN1; SMN2NPC1
SCHEMBL31583791 0.81 CYP2B6 (0.42) CYP2B6HSD11B1HPGD
SCHEMBL8354616 0.81 CYP2B6 (0.64) CYP2B6HSD11B1HPGDALDH1A1CHEK1
SCHEMBL5644958 0.79 CYP2B6 (0.62) CYP2B6CHEK1ACHESMN1; SMN2NPC1
SCHEMBL8354397 0.79 CYP2B6 (0.68) CYP2B6HPGDALDH1A1CHEK1ACHE
SCHEMBL19011533 0.78 CYP2B6 (0.96) CYP2B6ACHESMN1; SMN2LMNASIGMAR1
SCHEMBL19690280 0.77 CYP2B6 (0.59) CYP2B6HPGDALDH1A1SMN1; SMN2LMNA

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-7999117-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBVIE INC. 2011-08-16 US disclosed
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 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 (2 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 CYP2B6 912/4885HSD11B1 3344/4885HPGD 774/4885
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 CYP2B6 912/4885HSD11B1 3344/4885HPGD 774/4885

“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.