SCHEMBL6922994

SCHEMBL6922994

CCC(C)OP(=O)(O)c1cc2cc([N+](=O)[O-])c(Cl)cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
FASN P49327 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL6923316 0.88 GRIN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7068989 0.85 AR (0.41) CA12CA9
SCHEMBL7742775 0.84 CYP1A2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6927158 0.83 GRIN1 (0.35) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL7734973 0.82 GRIN2D (0.37) ALDH1A1GAAHPGDGRIN2DGRIN3B
SCHEMBL6926212 0.80 GRIN1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6926878 0.80 CA1 (0.36) CA12CA9ALDH1A1GRIN2DGRIN3B
SCHEMBL7740615 0.79 PRKAG1 (0.36)
SCHEMBL7741441 0.79 GRIN2D (0.38) CA12CA9GRIN2DGRIN3BGRIN1
SCHEMBL6926403 0.78 DAO (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596709-B1 For treatment of Alzheimer's disease, schizophrenia, amyotrophic lateral sclerosis, and Huntington's chorea LES LABORATOIRES SERVIER (FR) 2003-07-22 US disclosed
US-6518258-B1 6-sulphamoyl -3-quinolyphosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2003-02-11 US disclosed
US-6486143-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
US-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2001-10-18 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 (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-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds CA6, P2RY6, FPR3 CA12 311/4885CA9 176/4885FASN 1498/4885

“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.