SCHEMBL4870967

SCHEMBL4870967

[CH2]CCCc1cc(C)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NCF1 P14598 4/20 0.50
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GALR3 O60755 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6985541 0.82 CYP1A2 (0.60) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL14268962 0.82 TLR8 (0.54) CYP1A2NCF1CYP2C19KDM4ERAB9A
SCHEMBL5673431 0.81 CYP1A2 (0.41) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL18535317 0.81 CYP1A2 (0.58) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL5673427 0.80 CYP1A2 (0.49) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL6783499 0.79 NCF1 (0.58) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL28728112 0.79 CYP1A2 (0.56) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL6788358 0.79 CYP2C19 (0.56) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL6964689 0.79 CYP1A2 (0.56) CYP1A2NCF1CYP2C19KDM4ESMN1; SMN2
SCHEMBL27367367 0.79 ACHE (0.51) KDM4ESMN1; SMN2HPGDL3MBTL1

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
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 (1 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 CYP1A2 383/4885NCF1 4447/4885CYP2C19 9/4885

“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.