SCHEMBL5507882

SCHEMBL5507882

COC(=O)c1[c]cc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TNKS O95271 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL9602129 0.79 MGAM (0.48) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL5777774 0.77 IKBKB (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL725183 0.70 MGAM (0.61) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL30208641 0.70 MGAM (0.61) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL8210849 0.70 KDM4E (0.45) KDM4EMEN1KMT2ASMN1; SMN2HTT
SCHEMBL178081 0.69 TLR8 (0.42) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL3391383 0.69 HSP90AA1 (0.46) ALDH1A1KDM4ETSHRHPGDHSD17B10
Hydrochloric Acid SCHEMBL16793838 0.69 MGAM (0.59) ALDH1A1KDM4EMEN1KMT2ACNR2
Hydrochloric Acid SCHEMBL30615167 0.69 MGAM (0.59) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL7953763 0.69 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2ATSHR

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-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US disclosed
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US disclosed
EP-1171446-B1 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES INC (US) 2006-09-20 EP disclosed
US-6794366-B2 ERYTHRONOLIDE DERIVATIVES THAT CONTAIN MODIFICATIONS FROM THE NATIVE STRUCTURE AT POSITIONS 13, E.G., 15-(QUINOL-4-YL-ACETAMIDOERYTHROMYCIN A; BACTERICIDES; PRESERVATIVES KOSAN BIOSCIENCES, INC. 2004-09-21 US disclosed
US-6762168-B2 ANTIBACTERIAL COMPOUNDS. THE INVENTION CONCERNS MACROLIDE ANTIBIOTICS USEFUL AS ANTIINFECTIVE AGENTS. KOSAN BIOSCIENCES, INC. 2004-07-13 US disclosed
US-20030207821-A1 Macrolide antiinfective agents CHU DANIEL T W (US) 2003-11-06 US disclosed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US disclosed
US-6514944-B2 Macrolide antibiotics containing an erythronolide nucleus modified at least at the substituent at C-13 KOSAN BIOSCIENCES, INC. 2003-02-04 US disclosed
US-20020156028-A1 Macrolide antiinfective agents CHU DANIEL T W (US) 2002-10-24 US disclosed
US-6451768-B1 Macrolide antiinfective agents KOSAN BIOSCIENCES, INC. 2002-09-17 US disclosed
US-20020119938-A1 Macrolide antiinfective agents CHU DANIEL (US) 2002-08-29 US disclosed
US-6395710-B1 CONTROLLING INFECTIONS KOSAN BIOSCIENCES, INC. 2002-05-28 US disclosed
US-20020055472-A1 Macrolide antiinfective agents KOSAN BIOSCIENCES, INC. 2002-05-09 US disclosed
EP-1171446-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
EP-1171448-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
WO-2001049699-A1 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2001-07-12 WO disclosed
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
WO-2000063225-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 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 (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-20020156028-A1 Macrolide antiinfective agents DOHH, MRPS18B, MRPL21 ALDH1A1 2959/4885KDM4E 818/4885MEN1 3591/4885
US-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 ALDH1A1 4432/4885KDM4E 1780/4885MEN1 4137/4885
US-20030207821-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 ALDH1A1 3804/4885KDM4E 3657/4885MEN1 3716/4885
US-20020055472-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 ALDH1A1 3804/4885KDM4E 3657/4885MEN1 3716/4885

“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.