SCHEMBL6403073

SCHEMBL6403073

Nc1cccc2nc([N+](=O)[O-])[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL6332534 0.81 MAPT (0.51) ALDH1A1TDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL18152754 0.79 NQO2 (0.40) TYMSALDH1A1TDP1CYP3A4MAPT
SCHEMBL1013611 0.74 PARP1 (0.46) ALDH1A1CYP3A4MAPTSMN1; SMN2KDM4E
SCHEMBL3287768 0.74 ALDH1A1 (0.52) TYMSALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6403069 0.72 TDP1 (0.49) TYMSALDH1A1TDP1CYP3A4MAPT
SCHEMBL11853662 0.72 MAPT (0.35) ALDH1A1TDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL1201707 0.71 TYMS (0.56) TYMSALDH1A1TDP1CYP3A4MAPT
SCHEMBL28030291 0.71 PARP1 (0.39) ALDH1A1CYP3A4MAPTKDM4ECYP1A2
SCHEMBL9187598 0.71 MAPT (0.37) TYMSALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL186382 0.71 MMP2 (0.58) ALDH1A1TDP1MAPTSMN1; SMN2KDM4E

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 TYMS 3551/4885ALDH1A1 1209/4885TDP1 3968/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 TYMS 3551/4885ALDH1A1 1209/4885TDP1 3968/4885
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation MKI67, CCNI, CDKN1A TYMS 54/4885ALDH1A1 578/4885TDP1 2445/4885

“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.

Send feedback