SCHEMBL4870634

SCHEMBL4870634

Cc1c(-c2ccc(Cl)nc2)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2A6 P11509 1/20 0.36
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GRM5 P41594 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
CNR1 P21554 1/20 0.31
ATM Q13315 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL3855448 0.82 NSD3 (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4869680 0.80 CYP2A6 (0.45) MEN1KMT2ACYP2A6ALDH1A1KDM4E
SCHEMBL643163 0.71 CYP11B1 (0.37) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL10439558 0.71 CYP1A2 (0.44) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL17688313 0.69 ENPP2 (0.53) MEN1KMT2ANPC1RAB9ACYP2A6
SCHEMBL846 0.68 CYP11B1 (0.34) MEN1KMT2ARAB9AHTTSMN1; SMN2
SCHEMBL9408078 0.66 ALDH1A1 (0.36) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL3855008 0.65 NSD3 (0.46) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL312495 0.65 KDM4C (0.39) MEN1KMT2ACYP2A6ALDH1A1KDM4E
SCHEMBL9585649 0.65 TAAR1 (0.35) SMN1; 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
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-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS 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 MEN1 3279/4885KMT2A 2250/4885NPC1 931/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI MEN1 3666/4885KMT2A 672/4885NPC1 550/4885

“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.