SCHEMBL4868141

SCHEMBL4868141

NCCCCc1cc(-c2ccccc2)no1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.68
DRD2 P14416 9/20 0.56
DRD4 P21917 9/20 0.56
DRD3 P35462 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47

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
SCHEMBL15603519 0.88 NOTUM (0.74) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4866802 0.84 MEN1 (0.49) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL28675862 0.84 NOTUM (0.58) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL837204 0.84 NOTUM (0.68) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL28659027 0.83 NOTUM (0.57) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL13247845 0.82 NOTUM (0.70) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL28680089 0.82 NOTUM (0.60) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL2123479 0.81 NOTUM (1.00) NOTUMSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL23881879 0.78 NOTUM (0.64) NOTUMDRD2DRD4DRD3SMN1; SMN2
SCHEMBL4120542 0.78 NOTUM (0.64) NOTUMDRD2DRD4DRD3SMN1; 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 NOTUM 1886/4885DRD2 2096/4885DRD4 1135/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL NOTUM 548/4885DRD2 1785/4885DRD4 974/4885

“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.