SCHEMBL4868174

SCHEMBL4868174

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2cnccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 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
SCHEMBL14268956 0.86 CYP2E1 (0.42) MAPTRAB9ASMN1; SMN2KMT2ACYP3A4
SCHEMBL8086804 0.85 CYP2E1 (0.58) HTR1AKMT2ACYP3A4CYP2C9
SCHEMBL14269007 0.82 ALDH1A1 (0.41) HTR1AKMT2AKDM4ECYP3A4CYP2C9
SCHEMBL4867949 0.81 CYP2E1 (0.43) TDP1L3MBTL1HTR1AMAPTRAB9A
SCHEMBL4862725 0.79 HTR1A (0.43) TDP1L3MBTL1HTR1AKMT2A
SCHEMBL4163605 0.79 HTR1A (0.41) HTR1A
SCHEMBL13851862 0.78 TDP1 (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4163594 0.78 HPGDS (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL4160766 0.78 TDP1 (0.41) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14268989 0.78 HTR1A (0.45) TDP1L3MBTL1HTR1AMAPTRAB9A

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 TDP1 3282/4885L3MBTL1 2490/4885HTR1A 4261/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL TDP1 3793/4885L3MBTL1 1151/4885HTR1A 4404/4885

“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.