SCHEMBL6403069

SCHEMBL6403069

Nc1cccc2[nH]c([N+](=O)[O-])nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CHEK1 O14757 1/20 0.43
▸ PKN1 Q16512 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ PARP1 P09874 3/20 0.41
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ NOS1 P29475 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL6332531 0.81 PKN1 (0.61) TDP1GAAMEN1KMT2AMAPT
SCHEMBL18152752 0.79 PKN1 (0.42) GAAMEN1POLBKMT2AMAPT
SCHEMBL1013125 0.74 PARP1 (0.59) TDP1GAAMEN1POLBKMT2A
SCHEMBL3287778 0.74 MEN1 (0.58) TDP1GAAMEN1POLBKMT2A
SCHEMBL30291834 0.74 MEN1 (0.58) TDP1GAAMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL6120896 0.73 PARP1 (0.57) TDP1GAAMEN1POLBKMT2A
SCHEMBL6403073 0.72 TYMS (0.38) TDP1MEN1POLBKMT2AMAPT
SCHEMBL15323237 0.71 PLAUR (0.58) TDP1GAAMEN1POLBKMT2A
SCHEMBL30132368 0.71 PKN1 (0.58) TDP1GAAMEN1KMT2AMAPT
SCHEMBL837903 0.71 PKN1 (0.58) TDP1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 — — US disclosed
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation AVANIR PHARMACEUTICALS 2005-09-08 — — US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 — — US disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 — — US disclosed
US-4284713-A SILVER, SILVER HALIDE OR BINDER IMAGE, MASKING, EXPOSURE, DEVELOPMENT, DECOMPOSITION, ALKALI HALATE OR HALITE, ETCHING FUJI PHOTO FILM CO., LTD. (JP) 1981-08-18 — — US disclosed
US-4254214-A BLACK, REDUCTION OF COPPER SALT OR COMPLEX TO COPPER FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 — — US disclosed
US-4021247-A Method of dispersing organic compounds useful in photography FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 — — 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 TDP1 3968/4885GAA 1554/4885MEN1 4827/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 TDP1 3968/4885GAA 1554/4885MEN1 4827/4885
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation MKI67, CCNI, CDKN1A TDP1 2445/4885GAA 1414/4885MEN1 2358/4885

“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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