SCHEMBL18586366

SCHEMBL18586366

O=Cc1cnn(-c2ccc(Br)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.42
KCNJ1 P48048 1/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MTOR P42345 5/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 1/20 0.38
RPTOR Q8N122 3/20 0.37
MLST8 Q9BVC4 3/20 0.37
HPGDS O60760 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL15329666 0.82 ALDH1A1 (0.51) PTGS2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1990298 0.82 MTOR (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL21281739 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL18586388 0.82 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL8415523 0.82 MTOR (0.52) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL1002407 0.82 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL70114 0.81 NPC1 (0.63) PTGS2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18585571 0.80 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
Water SCHEMBL17731583 0.80 NPC1 (0.61) PTGS2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27768403 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114685473-B 5-Alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2024-10-29 CN disclosed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 CN disclosed
EP-3239143-B1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEMICAL LTD (KR) 2023-03-22 EP disclosed
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2022-05-05 US disclosed
US-11261186-B2 Biaryl derivative as GPR120 agonist LG CHEM. LTD. (KR) 2022-03-01 US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST LG CHEM, LTD. (KR) 2017-12-07 US disclosed
EP-3239143-A2 BIARYL DERIVATIVE AS GPR120 AGONIST LG Chem, Ltd. (KR) 2017-11-01 EP disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
CN-102731477-B Pyrazoloquinoline compound and derivatives thereof, as well as preparation method and application thereof UNIV HENAN 2014-02-05 CN 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 PTGS2 208/4885SMN1; SMN2 4661/4885NPC1 3415/4885
US-20220135574-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR PTGS2 717/4885SMN1; SMN2 3448/4885NPC1 1654/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 PTGS2 208/4885SMN1; SMN2 4661/4885NPC1 3415/4885
US-20170349594-A1 BIARYL DERIVATIVE AS GPR120 AGONIST GPR119, GLP1R, GIPR PTGS2 717/4885SMN1; SMN2 3448/4885NPC1 1654/4885
US-11261186-B2 Biaryl derivative as GPR120 agonist GPR119, GPR88, FFAR1 PTGS2 662/4885SMN1; SMN2 4496/4885NPC1 640/4885

“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.