SCHEMBL7227652

SCHEMBL7227652

CCn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CCN(c5ccc(F)cc5)CC4)cc3nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.53
LMNA P02545 4/20 0.53
CYP2C9 P11712 1/20 0.53
ATP6V1B2 P21281 1/20 0.53
TBXA2R P21731 1/20 0.53
EDNRA P25101 1/20 0.53
TARBP2 Q15633 1/20 0.53
KDM4E B2RXH2 7/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HSD17B10 Q99714 3/20 0.51
ENPP2 Q13822 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 3/20 0.50
TSHR P16473 2/20 0.50
BRD4 O60885 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 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
SCHEMBL7229082 0.90 KDM4E (0.50) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9775890 0.89 DRD3 (0.67) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9775875 0.89 DRD3 (0.56) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL6603300 0.88 LMNA (0.55) DRD3LMNAKDM4EMEN1KMT2A
SCHEMBL9529605 0.86 LMNA (0.71) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9775868 0.86 DRD3 (0.55) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL7240040 0.86 LMNA (0.51) DRD3LMNAKDM4EMEN1KMT2A
SCHEMBL6605971 0.85 KMT2A (0.56) DRD3LMNAKDM4EMEN1KMT2A
Water SCHEMBL9775888 0.85 LMNA (0.70) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9786224 0.83 LMNA (0.53) DRD3LMNACYP2C9ATP6V1B2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548506-B2 1-substituted,3-carboxy,7-fluoro,8-disubstituted amino-1,4-dihydrobenzo(b)(1,8)naphthyridin-4-ones; Useful as antimicrobial agents; topical antibiotic for wounds AVENTIS PHARMA S.A. (FR) 2003-04-15 US disclosed
US-20020037891-A1 Novel benzo[1,8]naphthyridine derivatives, their preparation and pharmaceutical compositions which comprise them AVENTIS PHARMA S.A. (FR) 2002-03-28 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-20020037891-A1 Novel benzo[1,8]naphthyridine derivatives, their preparation and pharmaceutical compositions which comprise them ABCB11, NDUFA9, NDUFC1 DRD3 2525/4885LMNA 1363/4885CYP2C9 111/4885

“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.