SCHEMBL4867115

SCHEMBL4867115

O=C1c2ccccc2C(=O)N1Cn1cnc(-c2ccc(F)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 1/20 0.36
GRM5 P41594 1/20 0.36
CHRM5 P08912 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
DHODH Q02127 1/20 0.34

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 0.86 HTR1A (0.44) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4862725 0.85 HTR1A (0.43) MEN1KMT2AALDH1A1
SCHEMBL4863313 0.85 CYP2E1 (0.44) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4867872 0.85 HPGDS (0.41) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL14268951 0.82 CYP2E1 (0.46) HPGDSCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4867189 0.81 KDM4E (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14268956 0.75 CYP2E1 (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4873669 0.72 MEN1 (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14268974 0.72 TDP1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4871015 0.72 TSHR (0.40) RAB9ASMN1; SMN2MAPTALDH1A1CREBBP

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 7 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-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US 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

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 HPGDS 254/4885CYP2E1 323/4885CYP3A4 30/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI HPGDS 374/4885CYP2E1 184/4885CYP3A4 73/4885

“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.