SCHEMBL4866745

SCHEMBL4866745

Cc1[nH]cnc1-c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
CYP2A6 P11509 1/20 0.41
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA3 P32297 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 1/20 0.36
CHRNB4 P30926 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
Lofemizole SCHEMBL35441 0.79 ADORA3 (0.47) CYP3A4KDM4ECCNB2CDK1CCNB1
Lofemizole SCHEMBL44549 0.78 SMN1; SMN2 (0.47) CYP3A4KDM4ECCNB2CDK1CCNB1
SCHEMBL27938136 0.75 IKBKB (0.45) ALDH1A1NOTUM
SCHEMBL22434856 0.75 ADORA3 (0.50) MEN1KMT2AALDH1A1CYP3A4TDP1
SCHEMBL3465241 0.74 CHEK1 (0.43) PIK3CDCYP2A6CHRNB2CHRNA4MEN1
SCHEMBL3141937 0.72 ASIC3 (0.41) MEN1KMT2AALDH1A1CYP3A4HSD17B10
SCHEMBL21428970 0.72 MAPK14 (0.54) CYP3A4RAB9AKDM4E
SCHEMBL2691682 0.71 CYP2A6 (0.56) CYP2A6ALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL8002000 0.71 KDM4E (0.61) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1662273 0.71 PIK3CD (0.73) PIK3CDCYP2A6CHRNB2CHRNA4MEN1

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 10 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
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

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 PIK3CD 231/4885CYP2A6 57/4885CHRNB2 4875/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI PIK3CD 380/4885CYP2A6 110/4885CHRNB2 4876/4885

“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.