SCHEMBL6170762

SCHEMBL6170762

COc1ccccc1Cn1c(C)nc2ccc(C(=O)O)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ LMNA P02545 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TP53 P04637 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RORC P51449 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ACSS2 Q9NR19 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46

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
SCHEMBL6170293 0.88 MEN1 (0.48) AGTR1AGTR2LMNANPSR1HTT
SCHEMBL7597439 0.87 PTGER1 (0.47) AGTR1AGTR2ACSS2HDAC3HDAC4
SCHEMBL6171451 0.86 NPC1 (0.63) LMNANPSR1HTTL3MBTL1TSHR
SCHEMBL6169166 0.84 PPARG (0.57) HTTKDM4ETP53SMN1; SMN2RAB9A
SCHEMBL6171124 0.83 ACSS2 (0.47) AGTR1AGTR2RAB9AACSS2HDAC3
SCHEMBL6169195 0.82 TNF (0.62) AGTR1AGTR2RORCRAB9AACSS2
SCHEMBL6169918 0.81 LMNA (0.47) AGTR1AGTR2LMNATP53RORC
SCHEMBL6170878 0.81 KIF11 (0.55) NPSR1KDM4ERAB9AACSS2ALDH1A1
SCHEMBL6168971 0.81 TP53 (0.56) LMNAKDM4ETP53ALDH1A1HPGD
SCHEMBL14006011 0.80 LMNA (0.73) LMNANPSR1HTTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 — — EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 — — US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 AGTR1 4001/4885AGTR2 3926/4885LMNA 225/4885

“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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