SCHEMBL4870569

SCHEMBL4870569

Cc1cc(-c2cn(CCCCN3C(=O)c4ccccc4C3=O)cn2)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4163594 0.85 HPGDS (0.42) ALDH1A1TDP1HTTRAB9AL3MBTL1
SCHEMBL13851862 0.85 TDP1 (0.42) HPGDTSHRALDH1A1MEN1USP2
SCHEMBL4871015 0.84 TSHR (0.40) TSHRALDH1A1TDP1RAB9AL3MBTL1
SCHEMBL14268974 0.84 TDP1 (0.41) HPGDTSHRALDH1A1MEN1USP2
SCHEMBL8093014 0.82 TSHR (0.49) TSHRALDH1A1KMT2ATDP1
SCHEMBL14268989 0.81 HTR1A (0.45) TDP1RAB9AL3MBTL1
SCHEMBL4160766 0.81 TDP1 (0.41) ALDH1A1TDP1RAB9AL3MBTL1
SCHEMBL14269007 0.80 ALDH1A1 (0.41) HPGDALDH1A1MEN1KMT2A
SCHEMBL14269012 0.80 CYP2E1 (0.37) ALDH1A1MEN1USP2KMT2ATDP1
SCHEMBL14268976 0.80 HTR1A (0.44) HPGDTSHRALDH1A1MEN1USP2

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-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
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
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 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-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 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 (2 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 HPGD 232/4885TSHR 2718/4885ALDH1A1 2876/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HPGD 498/4885TSHR 3300/4885ALDH1A1 1182/4885

“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.