SCHEMBL4868652

SCHEMBL4868652

[CH2]CCn1cnc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
EGLN3 Q9H6Z9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.33
GRM2 Q14416 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXA2R P21731 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4867446 0.90 LTA4H (0.50) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL9570017 0.82 LTA4H (0.52) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL3960228 0.82 LTA4H (0.52) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL9598840 0.82 LTA4H (0.52) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL10163442 0.79 LTA4H (0.50) LTA4HTDP1LMNASMN1; SMN2TSHR
SCHEMBL11250423 0.79 LTA4H (0.50) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL10130691 0.78 LTA4H (0.49) LTA4HTDP1LMNATSHRKMT2A
SCHEMBL10131860 0.78 LTA4H (0.49) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL8652765 0.78 LTA4H (0.49) LTA4HTDP1LMNASMN1; SMN2HTT
SCHEMBL4863437 0.78 LTA4H (0.49) LTA4HTDP1LMNASMN1; SMN2HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE SHIONOGI & CO., LTD. (JP) 2014-03-27 US disclosed
CN-103635478-A Novel cephem compound having catechol or pseudo-catechol structure SHIONOGI & CO 2014-03-12 CN disclosed
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
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 LTA4H 456/4885TDP1 3282/4885LMNA 1015/4885
US-20140088302-A1 NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE COMT, CMBL, CEP170 LTA4H 1837/4885TDP1 4236/4885LMNA 4194/4885

“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.