SCHEMBL16844552

SCHEMBL16844552

CC(O)c1cccc2ccoc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL30701213 1.00 CYP1A2 (0.36) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL16855175 1.00 CYP1A2 (0.36) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL3795346 0.84 GABRA1 (0.41) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL24312374 0.81 MEN1 (0.36) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL26462986 0.81 MEN1 (0.36) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL20511633 0.81 CYP1A2 (0.41) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL31561735 0.80 LMNA (0.37) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL3797966 0.78 TSHR (0.44) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL26864180 0.78 TSHR (0.44) CYP1A2CYP3A4MEN1NPC1CYP2D6
SCHEMBL7352827 0.76 PPARG (0.33) SLC6A2SLC6A4SLC6A3

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
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2019-03-07 US disclosed
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2019-03-07 US disclosed
EP-3426255-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2019-01-16 EP disclosed
WO-2017155909-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-09-14 WO disclosed
WO-2017155909-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-09-14 WO disclosed
US-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
WO-2015095261-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089842-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OSTEOPOROSIS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (5 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-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 CYP1A2 631/4885CYP3A4 377/4885MEN1 1791/4885
US-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS CASR, CALCR, CALCRL CYP1A2 2851/4885CYP3A4 4007/4885MEN1 2476/4885
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 CYP1A2 631/4885CYP3A4 377/4885MEN1 1791/4885
US-10508097-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 CYP1A2 631/4885CYP3A4 377/4885MEN1 1791/4885
US-20190071417-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 CYP1A2 631/4885CYP3A4 377/4885MEN1 1791/4885

“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.