SCHEMBL6943602

SCHEMBL6943602

O=C(NCCCCCO)c1cc([N+](=O)[O-])ccc1NC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KMT2A Q03164 2/20 0.56
TBXA2R P21731 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD3 P35462 1/20 0.54
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA13 Q8N1Q1 2/20 0.49

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
SCHEMBL7367863 0.90 TBXA2R (0.66) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6939916 0.90 TBXA2R (0.66) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6945457 0.89 TBXA2R (0.67) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL7367027 0.89 TBXA2R (0.61) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6945212 0.85 MAPT (0.57) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6938854 0.85 MAPT (0.65) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL27534799 0.83 MAPT (0.56) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL6937085 0.83 MAPT (0.67) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL6939682 0.82 MAPT (0.63) MAPTKMT2ATBXA2RSLC6A2SLC6A4
SCHEMBL7369875 0.82 MAPT (0.66) MAPTKMT2ATBXA2RSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 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-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A MAPT 4706/4885KMT2A 1991/4885TBXA2R 243/4885

“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.