SCHEMBL6940696

SCHEMBL6940696

O=C(OC1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)OCO3)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
MMP13 P45452 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX12 P18054 2/20 0.43

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
SCHEMBL6940697 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6943733 0.85 MAPT (0.58) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6944931 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6941990 0.85 MAPT (0.60) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6939369 0.85 MAPT (0.60) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6939374 0.85 MAPT (0.60) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6944924 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1POLB
SCHEMBL6940165 0.85 MAPT (0.46) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6940168 0.85 MAPT (0.46) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6940658 0.85 MAPT (0.64) ALDH1A1MAPTHPGDTDP1POLB

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
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP claimed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US claimed
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 ALDH1A1 253/4885MAPT 4706/4885HPGD 76/4885

“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.