SCHEMBL4871015

SCHEMBL4871015

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CREBBP Q92793 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
SCHEMBL4163594 0.89 HPGDS (0.42) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL8093014 0.88 TSHR (0.49) TSHRTDP1MAPTALDH1A1
SCHEMBL4867872 0.86 HPGDS (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1CREBBP
SCHEMBL14268974 0.86 TDP1 (0.41) TSHRTDP1L3MBTL1MAPTRAB9A
SCHEMBL14268976 0.86 HTR1A (0.44) TSHRTDP1L3MBTL1MAPTRAB9A
SCHEMBL4862725 0.85 HTR1A (0.43) TSHRTDP1L3MBTL1ACHEALDH1A1
SCHEMBL4160766 0.84 TDP1 (0.41) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL13851862 0.84 TDP1 (0.42) TSHRTDP1L3MBTL1MAPTRAB9A
SCHEMBL4870569 0.84 HPGD (0.39) TSHRTDP1L3MBTL1RAB9AALDH1A1
SCHEMBL4867949 0.83 CYP2E1 (0.43) TSHRTDP1L3MBTL1MAPTRAB9A

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 12 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-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
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
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 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-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES 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 TSHR 2718/4885TDP1 3282/4885L3MBTL1 2490/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI TSHR 3300/4885TDP1 4280/4885L3MBTL1 2302/4885

“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.