SCHEMBL3977245

SCHEMBL3977245

CCOC(=O)c1cn(CC)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ TSHR P16473 2/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ATP6V1B2 P21281 1/20 0.48

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
SCHEMBL16469277 0.90 KMT2A (0.50) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL8775658 0.89 KMT2A (0.52) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL10996251 0.87 LMNA (0.48) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL2092892 0.87 KMT2A (0.47) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL11289462 0.86 POLB (0.53) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL5357390 0.86 ALDH1A1 (0.48) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL6241091 0.86 LMNA (0.63) ALDH1A1TSHRKMT2APOLBKDM4E
SCHEMBL11286741 0.85 ALDH1A1 (0.53) ALDH1A1TSHRKMT2ASMN1; SMN2KDM4E
SCHEMBL7823482 0.84 LMNA (0.45) ALDH1A1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL22774060 0.84 KMT2A (0.46) ALDH1A1TSHRKMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401829-B1 NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS MICROBIOTIX INC (US) 2012-08-22 — — EP disclosed
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 — — US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 — — US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 — — US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 — — US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 — — EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 — — EP disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 — — EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 — — WO disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 — — WO disclosed
US-6777420-B2 A URACIL COMPOUNDS AS ENZYME INHIBITORS, INHIBIT BACTERIAL DNA POLYMERASE, TREATING BACTERIAL DISEASES MICROBIOTIX, INC. 2004-08-17 — — US disclosed
US-20030181719-A1 Novel heterocyclic antibacterial compounds MICROBIOTIX, INC. 2003-09-25 — — US disclosed
US-4956465-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
US-4448962-A BACTERICIDES KYORIN SEIYAKU KABUSHIKI KAISHA 1984-05-15 — — US disclosed
US-4341784-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 — — US disclosed
EP-0027752-A1 Naphthyridine derivatives, processes for their preparation and pharmaceutical compositions containing them Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1981-04-29 — — EP 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 (4 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A ALDH1A1 2827/4885TSHR 3662/4885KMT2A 4774/4885
US-20030181719-A1 Novel heterocyclic antibacterial compounds TOP1, TOP2A, TOP2B ALDH1A1 2897/4885TSHR 4571/4885KMT2A 2259/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A ALDH1A1 2288/4885TSHR 2015/4885KMT2A 3975/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 ALDH1A1 4011/4885TSHR 3134/4885KMT2A 3931/4885

“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.

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