SCHEMBL6946805

SCHEMBL6946805

N#Cc1ccc(NC2CCCC2)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HCAR3 P49019 2/20 0.46
CISD1 Q9NZ45 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP2K1 Q02750 1/20 0.42

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
SCHEMBL15638342 0.97 HCAR3 (0.46) NPC1RAB9AHCAR3CISD1CA12
SCHEMBL7367463 0.89 HSP90AA1 (0.44) HCAR3MAP2K1ALBCDK2
SCHEMBL7367462 0.89 HSP90AA1 (0.44) HCAR3MAP2K1ALBCDK2
SCHEMBL15635242 0.86 MAP2K1 (0.48) NPC1RAB9AHCAR3CISD1CA12
SCHEMBL6945540 0.85 YAP1 (0.59) NPC1RAB9AEPHX1ALDH1A1YAP1
SCHEMBL15635836 0.82 YAP1 (0.56) NPC1RAB9AEPHX1ALDH1A1YAP1
SCHEMBL7364175 0.77 CA12 (0.52) CA12CA1CA2CA3CA4
SCHEMBL495622 0.77 SERPINE1 (0.57) NPC1RAB9AHCAR3CISD1CA12
SCHEMBL29673232 0.76 KDM4E (0.51) NPC1RAB9AEPHX1ALDH1A1MEN1
SCHEMBL7182013 0.76 KDM4E (0.51) NPC1RAB9AEPHX1ALDH1A1MEN1

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 6 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
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO 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 NPC1 4551/4885RAB9A 1299/4885HCAR3 1467/4885

“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.