SCHEMBL5514199

SCHEMBL5514199

O=C(Cl)OCc1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
NCF1 P14598 1/20 0.41
NSD2 O96028 1/20 0.40
FAAH O00519 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL29430303 0.85 CYP1A2 (0.54) LOXL2CYP1A2ALDH1A1ADAMTS4MMP13
SCHEMBL14075592 0.84 LOXL2 (0.54) LOXL2CYP1A2ADAMTS4MMP13NCF1
SCHEMBL28683734 0.81 TDP1 (0.51) LOXL2CYP1A2ALDH1A1ADAMTS4MMP13
SCHEMBL5508700 0.78 CYP1A2 (0.60) LOXL2CYP1A2ALDH1A1NCF1NSD2
Quinoxaline SCHEMBL28023154 0.75 ALDH1A1 (0.73) ALDH1A1LMNA
SCHEMBL5514406 0.75 LOXL2 (0.51) LOXL2CYP1A2ALDH1A1NCF1NSD2
SCHEMBL5077569 0.75 EPHX1 (0.54) CYP1A2ALDH1A1
SCHEMBL3142083 0.74 LOXL2 (0.58) LOXL2CYP1A2ALDH1A1NCF1HTR1A
SCHEMBL5012674 0.74 LOXL2 (0.63) LOXL2CYP1A2ALDH1A1NCF1HTR1A
SCHEMBL7956261 0.74 LOXL2 (0.58) LOXL2CYP1A2ALDH1A1NCF1PTPN1

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 19 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
CN-1241931-C Macrolide antinfective agents KOSAN BIOSCIENCES INC (US) 2006-02-15 CN disclosed
CN-1636008-A Macrolide antiinfectives KOSAN BIOSCIENCES INC (US) 2005-07-06 CN 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
CN-1384838-A Macrolide antinfective agents KOSAN BIOSCIENCES INC (US) 2002-12-11 CN 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 LOXL2 1713/4885CYP1A2 2078/4885ALDH1A1 2959/4885
US-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 LOXL2 1782/4885CYP1A2 2938/4885ALDH1A1 4432/4885
US-20030207821-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 LOXL2 4266/4885CYP1A2 1612/4885ALDH1A1 3804/4885
US-20020055472-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 LOXL2 4266/4885CYP1A2 1612/4885ALDH1A1 3804/4885

“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.