SCHEMBL6167846

SCHEMBL6167846

Cc1nc2ccc(C(=O)O)cc2n1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TNF P01375 1/20 0.50
SRD5A2 P31213 1/20 0.49
VDR P11473 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
PLA2G4B P0C869 1/20 0.47
MAOB P27338 1/20 0.47
PLA2G2A P14555 1/20 0.47
PTPN1 P18031 2/20 0.47
PDE6D O43924 1/20 0.47
POLB P06746 2/20 0.47
GLP1R P43220 1/20 0.47
DCTPP1 Q9H773 1/20 0.46
PPARG P37231 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL6172705 0.90 MEN1 (0.52) HDAC1HDAC6TNFMAOBNPC1
SCHEMBL6169195 0.89 TNF (0.62) HDAC1HDAC6TNFPPARGRAB9A
SCHEMBL6309396 0.88 S1PR1 (0.50) NR4A2NR4A1NR4A3VDRNR1H4
SCHEMBL6172060 0.88 HDAC1 (0.54) HDAC1HDAC6TNFSRD5A2DCTPP1
SCHEMBL6168952 0.87 GLP1R (0.51) NR4A2NR4A1NR4A3POLBGLP1R
SCHEMBL6172134 0.87 HDAC1 (0.57) HDAC1HDAC6TNFPPARGRAB9A
SCHEMBL6301604 0.86 PPARG (0.47) HDAC1HDAC6VDRNR1H4PPARG
SCHEMBL7673054 0.86 HDAC1 (0.44) HDAC1HDAC6TNFMAOBPDE6D
SCHEMBL6171067 0.85 DCTPP1 (0.64) HDAC1HDAC6TNFDCTPP1PPARG
SCHEMBL1160015 0.85 BCL2L1 (0.53) HDAC1HDAC6POLBPPARG

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 NR4A2 2119/4885NR4A1 3412/4885NR4A3 1497/4885

“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.