SCHEMBL5508700

SCHEMBL5508700

O=C(Cl)Cc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.55
NCF1 P14598 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
FAAH O00519 1/20 0.43
FERMT2 Q96AC1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK9 P45984 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3775943 0.86 CYP1A2 (0.60) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL5456634 0.84 CYP1A2 (0.67) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL5514406 0.83 LOXL2 (0.51) CYP1A2LOXL2NCF1HTR1AADRA1D
Hydrochloric Acid SCHEMBL3805296 0.82 CYP1A2 (0.65) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL6670697 0.82 CYP1A2 (0.60) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL25139494 0.79 CYP1A2 (0.57) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL5239658 0.79 CYP1A2 (0.61) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL29987166 0.79 CYP1A2 (0.61) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL5514199 0.78 LOXL2 (0.50) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL28001770 0.78 LOXL2 (0.58) CYP1A2LOXL2NCF1HTR1AADRA1D

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
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US 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 CYP1A2 2078/4885LOXL2 1713/4885NCF1 2613/4885
US-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 CYP1A2 2938/4885LOXL2 1782/4885NCF1 480/4885
US-20030207821-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 CYP1A2 1612/4885LOXL2 4266/4885NCF1 560/4885
US-20020055472-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 CYP1A2 1612/4885LOXL2 4266/4885NCF1 560/4885

“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.