SCHEMBL6403064

SCHEMBL6403064

Nn1c([N+](=O)[O-])nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.52
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 1/20 0.46
NOD1 Q9Y239 1/20 0.44
RAB9A P51151 4/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ADORA2A P29274 1/20 0.41
HTT P42858 2/20 0.40
CFTR P13569 3/20 0.40

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
SCHEMBL28382068 0.79 ALDH1A1 (0.59) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18152750 0.79 ALDH1A1 (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8028315 0.79 ALDH1A1 (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11020621 0.74 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3314086 0.73 SMN1; SMN2 (0.62) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11361677 0.70 ALDH1A1 (0.54) MAPTALDH1A1CYP2C19RAB9APKM
SCHEMBL2952899 0.69 NOS2 (1.00) NOS2CYP1A2NOD1RAB9ANPC1
SCHEMBL8395946 0.67 NOS2 (0.61) NOS2MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL5144258 0.67 NOS2 (0.61) NOS2MAPTALDH1A1RAB9ANPC1
SCHEMBL9187589 0.67 NOS2 (0.61) NOS2MAPTALDH1A1CYP1A2CYP2C9

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 NOS2 2583/4885MAPT 3023/4885ALDH1A1 1209/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NOS2 2583/4885MAPT 3023/4885ALDH1A1 1209/4885
US-20050197375-A1 Use of benzimidazole analogs in the treatment of cell proliferation MKI67, CCNI, CDKN1A NOS2 2985/4885MAPT 4186/4885ALDH1A1 578/4885

“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.