SCHEMBL5550125

SCHEMBL5550125

CCn1cc(C(=O)O)c(=O)c2ccc(NCCN)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.53
HPGD P15428 8/20 0.51
LMNA P02545 7/20 0.51
POLB P06746 4/20 0.51
TAAR1 Q96RJ0 1/20 0.51
KDM4E B2RXH2 12/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 3/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
APEX1 P27695 1/20 0.50
DRD3 P35462 1/20 0.49
HTT P42858 7/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL5549172 0.86 S1PR1 (0.49) TOP1LMNAALDH1A1
SCHEMBL5550107 0.85 TOP1 (0.66) TOP1LMNA
7-Desethyl-Norfloxacin SCHEMBL5551203 0.84 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
7-Desethyl-Norfloxacin SCHEMBL30610053 0.84 TOP1 (0.70) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL16591589 0.83 KDM4E (0.45) TOP1HPGDLMNAPOLBTAAR1
7-Desethyl-Norfloxacin SCHEMBL29548802 0.83 TOP1 (0.68) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL5549161 0.80 TOP1 (0.56) TOP1HPGDLMNAPOLBTAAR1
SCHEMBL5550927 0.80 KDM4E (0.50) HPGDLMNAKDM4EALDH1A1HSD17B10
SCHEMBL10993573 0.79 KDM4E (0.57) HPGDLMNAPOLBTAAR1KDM4E
SCHEMBL9148055 0.79 KDM4E (0.57) HPGDLMNAPOLBTAAR1KDM4E

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-1453846-B1 14 OR 15 MEMBERED MACROLIDES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2007-05-16 EP disclosed
US-7202221-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-04-10 US disclosed
CN-1307194-C Macrolides GLAXO GROUP LTD (GB) 2007-03-28 CN disclosed
CN-1612888-A Macrolides GLAXO GROUP LTD (GB) 2005-05-04 CN disclosed
US-20050080025-A1 Macrolides PLIVA D.D. (HR) 2005-04-14 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-20050080025-A1 Macrolides IL17A, CYP51A1, IL15 TOP1 1909/4885HPGD 2437/4885LMNA 1397/4885

“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.