SCHEMBL19992535

SCHEMBL19992535

O=C(CBr)c1ccc(OCC(F)(F)C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.39
▸ P4HTM Q9NXG6 1/20 0.38
▸ CNR2 P34972 8/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1H O95180 2/20 0.33
▸ CACNA1I Q9P0X4 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL27039858 0.88 CACNA1G (0.41) BACE1P4HTMCNR2GSK3BPTPN1
SCHEMBL21182256 0.86 BACE1 (0.41) BACE1P4HTMCNR2CNR1USP2
SCHEMBL1977314 0.84 P4HTM (0.55) BACE1P4HTMMAPTTSHRKMT2A
SCHEMBL19992569 0.82 BACE1 (0.42) BACE1P4HTMCNR2CNR1USP2
SCHEMBL19992532 0.80 BACE1 (0.38) BACE1P4HTMCNR2CNR1USP2
SCHEMBL17992230 0.80 BACE1 (0.38) BACE1P4HTMCNR2CNR1USP2
SCHEMBL1976231 0.80 MAPK1 (0.50) BACE1P4HTMCNR2CNR1MAPT
SCHEMBL15670153 0.78 CYP1A2 (0.42) BACE1CNR2MAPT
Bromide SCHEMBL30518647 0.76 P4HTM (0.44) P4HTMGSK3BKMT2A
SCHEMBL29601112 0.75 GSK3B (0.56) P4HTMGSK3BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514155-B1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2021-06-09 — — EP disclosed
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-28 — — US disclosed
US-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-25 — — US disclosed
EP-3514155-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2019-07-24 — — EP disclosed
WO-2018052119-A1 HETEROCYCLIC COMPOUND, AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME 住友化学株式会社 2018-03-22 — — 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 (2 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-20190223436-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING AGENT CONTAINING SAME OXER1, TAAR1, NR1D1 BACE1 3024/4885P4HTM 2337/4885CNR2 64/4885
US-10721929-B2 Heterocyclic compound and harmful-arthropod-controlling agent containing same OXER1, TAAR1, NR1D1 BACE1 3024/4885P4HTM 2337/4885CNR2 64/4885

“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.

Send feedback