SCHEMBL4322903

SCHEMBL4322903

Cc1ccc(-c2c[c]on2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 5/20 0.39
POLB P06746 2/20 0.39
NOTUM Q6P988 2/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL8836004 0.79 ENPP3 (0.45) ENPP3RAB9ANPC1POLBMETAP2
SCHEMBL1154499 0.78 MAPT (0.42) RAB9ANPC1KMT2ANOTUMMEN1
SCHEMBL4308652 0.78 RAB9A (0.40) RAB9ANPC1KMT2APOLBNOTUM
SCHEMBL3283855 0.78 NPC1 (0.46) ENPP3ENPP1RAB9ANPC1CASP3
SCHEMBL9662582 0.78 KIF11 (0.44) RAB9ANPC1POLBNOTUMKDM4E
SCHEMBL4317407 0.74 KIF11 (0.45) RAB9ANPC1KMT2APOLBNOTUM
SCHEMBL4312453 0.71 SMN1; SMN2 (0.56) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL4317162 0.70 MKNK1 (0.47) MAPTL3MBTL1
SCHEMBL2123728 0.69 NPC1 (0.42) ENPP3ENPP1RAB9ANPC1CASP3
SCHEMBL973674 0.68 CYP2A6 (0.50) RAB9ANPC1METAP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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
EP-1670808-A1 ANTIMICROBIAL DERIVATIVES CHIRON CORPORATION (US) 2006-06-21 EP 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-20050101548-A1 Antimicrobial derivatives LIN XIAODONG (US) 2005-05-12 US disclosed
WO-2005028493-A1 ANTIMICROBIAL DERIVATIVES CHIRON CORPORATION (US) 2005-03-31 WO 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
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 (5 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 ENPP3 1285/4885ENPP1 1319/4885RAB9A 1736/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL ENPP3 3368/4885ENPP1 2696/4885RAB9A 1155/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI ENPP3 2923/4885ENPP1 2614/4885RAB9A 1361/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 ENPP3 1591/4885ENPP1 2160/4885RAB9A 588/4885
US-20050101548-A1 Antimicrobial derivatives CFTR, VIP, Q6ZSR9 ENPP3 2429/4885ENPP1 2175/4885RAB9A 767/4885

“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.