SCHEMBL5160

SCHEMBL5160

FC(F)(F)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.61
CYP11B2 P19099 3/20 0.61
KIF11 P52732 6/20 0.53
CYP2A6 P11509 2/20 0.47
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
PIP4K2B P78356 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 2/20 0.41
S1PR1 P21453 1/20 0.41
NPC1 O15118 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
SCHEMBL4154461 0.82 CYP2A6 (0.49) CYP11B1CYP11B2KIF11CYP2A6PTGS2
SCHEMBL3562780 0.81 CYP11B2 (0.44) CYP11B1CYP11B2KIF11CYP2A6TRPV1
SCHEMBL5428 0.81 CYP11B2 (0.56) CYP11B1CYP11B2CYP2A6KDM4EALDH1A1
SCHEMBL425957 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP2A6PIP4K2BCHRNB4
SCHEMBL3559906 0.78 CYP11B1 (0.41) CYP11B1CYP11B2KIF11KDM1AHDAC1
SCHEMBL6628383 0.78 KDM4E (0.54) CYP11B1CYP11B2KDM4EALDH1A1LMNA
SCHEMBL13103965 0.78 KIF11 (0.54) KIF11TRPV1S1PR1
SCHEMBL27978615 0.78 KIF11 (0.54) KIF11TRPV1S1PR1
SCHEMBL5115735 0.78 CYP2A6 (0.60) CYP11B1CYP11B2CYP2A6ALDH1A1LMNA
SCHEMBL16906524 0.78 KIF11 (0.53) CYP11B1CYP11B2KIF11CYP2A6KDM1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
CN-101180299-B Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE 2010-12-15 CN disclosed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
CN-101180299-A Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-05-14 CN disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 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 (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-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP11B1 2821/4885CYP11B2 2507/4885KIF11 2503/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP11B1 2821/4885CYP11B2 2507/4885KIF11 2503/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 CYP11B1 2821/4885CYP11B2 2507/4885KIF11 2503/4885
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CYP11B1 273/4885CYP11B2 403/4885KIF11 2469/4885

“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.