SCHEMBL4862725

SCHEMBL4862725

O=C1c2ccccc2C(=O)N1CCCCCn1cnc(-c2ccc(F)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
ACHE P22303 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14268976 0.99 HTR1A (0.44) HTR1AACHETDP1L3MBTL1MEN1
SCHEMBL4867115 0.85 HPGDS (0.39) MEN1ALDH1A1KMT2A
SCHEMBL4871015 0.85 TSHR (0.40) ACHETDP1L3MBTL1ALDH1A1TSHR
SCHEMBL14268974 0.85 TDP1 (0.41) TDP1L3MBTL1MEN1USP2ALDH1A1
SCHEMBL13851862 0.83 TDP1 (0.42) TDP1L3MBTL1MEN1USP2ALDH1A1
SCHEMBL4163594 0.83 HPGDS (0.42) ACHETDP1L3MBTL1ALDH1A1
SCHEMBL4160766 0.83 TDP1 (0.41) TDP1L3MBTL1ALDH1A1
SCHEMBL4867949 0.82 CYP2E1 (0.43) HTR1ATDP1L3MBTL1MEN1USP2
SCHEMBL8093014 0.82 TSHR (0.49) TDP1ALDH1A1TSHRKMT2A
SCHEMBL7027251 0.82 MEN1 (0.45) HTR1ATDP1L3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (3 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD HTR1A 4261/4885ACHE 4144/4885TDP1 3282/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL HTR1A 4404/4885ACHE 3930/4885TDP1 3793/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HTR1A 4650/4885ACHE 4607/4885TDP1 4280/4885

“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.