SCHEMBL5512378

SCHEMBL5512378

O=C(Cl)Cc1cncc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
MAPK9 P45984 2/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ROS1 P08922 1/20 0.40
RPS6KB1 P23443 1/20 0.40
P2RX7 Q99572 1/20 0.40
FEN1 P39748 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PRKCZ Q05513 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CDK8 P49336 2/20 0.36
CCNC P24863 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL1483541 0.86 CYP11B1 (0.46) CYP11B1CYP11B2TDP1MAPK9ADORA2A
SCHEMBL30431204 0.84 TDP1 (0.62) CYP11B1CYP11B2TDP1MAPK9ADORA2A
SCHEMBL3711732 0.84 TDP1 (0.62) CYP11B1CYP11B2TDP1MAPK9ADORA2A
SCHEMBL5511663 0.83 P2RX7 (0.47) CYP11B1CYP11B2TDP1MAPK9ADORA2A
Hydrochloric Acid SCHEMBL4810594 0.83 TDP1 (0.61) CYP11B1CYP11B2TDP1MAPK9ADORA2A
SCHEMBL29420689 0.78 TDP1 (0.69) TDP1
SCHEMBL1019076 0.78 TDP1 (0.69) TDP1
SCHEMBL2258454 0.77 CYP11B1 (0.49) CYP11B1CYP11B2TDP1ADORA2AADORA1
SCHEMBL873335 0.76 CYP11B1 (0.47) CYP11B1CYP11B2TDP1ADORA2AADORA1
SCHEMBL9646280 0.76 CYP11B2 (0.47) CYP11B1CYP11B2ADORA2AADORA1P2RX7

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 CYP11B1 416/4885CYP11B2 574/4885TDP1 4228/4885
US-20020119938-A1 Macrolide antiinfective agents MLNR, DOHH, NOP2 CYP11B1 1580/4885CYP11B2 1611/4885TDP1 4147/4885
US-20030207821-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 CYP11B1 2434/4885CYP11B2 1917/4885TDP1 3383/4885
US-20020055472-A1 Macrolide antiinfective agents BECN1, HSPA5, SQSTM1 CYP11B1 2434/4885CYP11B2 1917/4885TDP1 3383/4885

“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.