SCHEMBL626716

SCHEMBL626716

N#Cn1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 4/20 0.47
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ EGLN3 Q9H6Z9 1/20 0.39

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
SCHEMBL5794662 0.79 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL4076379 0.79 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL15907070 0.76 TDP1 (0.46) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL19911424 0.73 KMT2A (0.34) LMNAKMT2AHSD17B10
SCHEMBL19911326 0.73 FGFR1 (0.50) TNFFGFR1SMN1; SMN2HPGDKMT2A
SCHEMBL19911408 0.73 MAPT (0.51) HTTFGFR1SMN1; SMN2LMNAMEN1
SCHEMBL19848235 0.73 MAPT (0.40) HTTFGFR1SMN1; SMN2HSD17B10
SCHEMBL19848669 0.73 DAPK3 (0.40) FGFR1
SCHEMBL6209368 0.73 HTT (0.46) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL19848118 0.73 DPP4 (0.35) CYP11B1CYP11B2POLBKMT2A

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020026059-A1 Benzimidazole derivatives ASSMANN LUTZ (DE) 2002-02-28 — — US claimed
CN-1187820-A Benzimidazole derivatives BAYER AG (DE) 1998-07-15 — — CN claimed
EP-0820457-A1 BENZIMIDAZOLE DERIVATIVES BAYER AG (DE) 1998-01-28 — — EP claimed
WO-1996032395-A1 BENZIMIDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-10-17 — — WO claimed
EP-0230844-A1 Fungicides comprising triazole and oligo ether groups, and mixtures thereof RHONE-POULENC AGROCHIMIE (FR) 1987-08-05 — — EP claimed
US-4490463-A SENSITIZERS EASTMAN KODAK COMPANY (US) 1984-12-25 — — US claimed
US-4223082-A ELECTROMAGNETIC WAVES EASTMAN KODAK COMPANY (US) 1980-09-16 — — US claimed
CN-114213204-B Method for synthesizing aryl nitrile compound from tert-butyl isonitrile 浙江工业大学 2023-12-05 — — CN disclosed
CN-114213204-A Method for synthesizing aryl nitrile compound from tert-butyl isonitrile 浙江工业大学 2022-03-22 — — CN disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 — — US disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 — — US disclosed
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-26 — — US disclosed
EP-3467930-B1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2020-05-13 — — EP disclosed
EP-0584811-B1 Process for the preparation of a grain stabilized high chloride tabular grain photographic emulsion (III) EASTMAN KODAK CO (US) 1996-10-09 — — EP disclosed
US-5298388-A Process for the preparation of a grain stabilized high chloride tabular grain photographic emulsion (III) EASTMAN KODAK COMPANY (US) 1994-03-29 — — US disclosed
EP-0584811-A1 Process for the preparation of a grain stabilized high chloride tabular grain photographic emulsion (III) EASTMAN KODAK COMPANY (US) 1994-03-02 — — EP disclosed
EP-0239508-A2 2-Cyano-benzimidazole derivatives, their preparation and use as fungicides, their association with other fungicides RHONE-POULENC AGROCHIMIE (FR) 1987-09-30 — — EP disclosed
EP-0230844-A1 Fungicides comprising triazole and oligo ether groups, and mixtures thereof RHONE-POULENC AGROCHIMIE (FR) 1987-08-05 — — EP disclosed
US-4490463-A SENSITIZERS EASTMAN KODAK COMPANY (US) 1984-12-25 — — US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 — — 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 (3 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 TDP1 979/4885HTT 1107/4885CYP11B1 640/4885
US-20020026059-A1 Benzimidazole derivatives BAK1, XDH, ZFX TDP1 2058/4885HTT 4795/4885CYP11B1 1431/4885
US-10660898-B2 Benzimidazole derivatives as PI3 kinase inhibitors PI4KB, PIK3CD, PI4KA TDP1 1700/4885HTT 2110/4885CYP11B1 1504/4885

“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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