SCHEMBL7004804

SCHEMBL7004804

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(N)C4)c(Cl)c32)c(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
TOP2A P11388 15/20 0.53
TOP1 P11387 3/20 0.53
TOP2B Q02880 10/20 0.52

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
SCHEMBL7011751 0.95 CYP3A4 (0.65) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7004810 0.94 CYP3A4 (0.68) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7003705 0.94 CYP3A4 (0.68) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL8479016 0.93 ALDH1A1 (0.69) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7010026 0.93 ALDH1A1 (0.69) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7004969 0.93 ALDH1A1 (0.69) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7008772 0.93 CYP3A4 (0.61) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7012483 0.92 CYP3A4 (0.66) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7013849 0.92 CYP3A4 (0.66) CYP3A4CYP2C9ALDH1A1POLBCHRM2
SCHEMBL7009205 0.92 CYP3A4 (0.60) CYP3A4CYP2C9ALDH1A1POLBCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
US-5994575-A Phenylenediamines and process for preparing the same WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0897909-A1 NOVEL PHENYLENEDIAMINES AND PROCESS FOR PREPARING THE SAME WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 CYP3A4 3514/4885CYP2C9 154/4885ALDH1A1 960/4885

“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.