SCHEMBL7068983

SCHEMBL7068983

CCOP(=O)(OCC)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ AR P10275 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 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
SCHEMBL6923314 0.85 GRIN2D (0.42) LMNAGAA
SCHEMBL6922992 0.83 GRIN2D (0.40) CA12CA9
SCHEMBL6928527 0.82 PARP1 (0.40) PARP1AR
SCHEMBL7068989 0.80 AR (0.41) PARP1ARCA12CA9
SCHEMBL6923612 0.78 CA1 (0.36) CA12CA9LMNA
SCHEMBL6928804 0.78 TRPV4 (0.31) —
SCHEMBL7735087 0.77 NTRK1 (0.35) GAA
SCHEMBL7740361 0.77 GRIA1 (0.54) —
SCHEMBL7648893 0.77 TAS2R14 (0.31) —
SCHEMBL6938546 0.77 KDM4E (0.30) GAA

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 PARP1 2631/4885AR 4067/4885CA12 311/4885

“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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