SCHEMBL4867949

SCHEMBL4867949

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2cncnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8086804 0.89 CYP2E1 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL4160766 0.86 TDP1 (0.41) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4163594 0.86 HPGDS (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL13851862 0.86 TDP1 (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14268951 0.86 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL14268976 0.83 HTR1A (0.44) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4871015 0.83 TSHR (0.40) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14268974 0.83 TDP1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL8093014 0.82 TSHR (0.49) TDP1MAPTALDH1A1TSHRKMT2A
SCHEMBL7027251 0.82 MEN1 (0.45) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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 8 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
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP 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
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 (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 CYP2E1 323/4885CYP3A4 30/4885CYP2A6 57/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP2E1 362/4885CYP3A4 120/4885CYP2A6 68/4885

“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.