SCHEMBL22589708

SCHEMBL22589708

O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 10/20 0.54
▸ KCNK2 O95069 3/20 0.53
▸ KCNK10 P57789 2/20 0.53
▸ LMNA P02545 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ CCR6 P51684 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ADCY8 P40145 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CXCR5 P32302 1/20 0.50

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
SCHEMBL22589765 0.88 ADCY1 (0.59) ADCY1KCNK2LMNAKMT2AOPRK1
SCHEMBL22589843 0.88 ADCY1 (0.67) ADCY1KCNK2LMNAKMT2AOPRK1
SCHEMBL22589771 0.88 LMNA (0.61) ADCY1KCNK2KCNK10LMNAKMT2A
SCHEMBL30656645 0.87 ADCY1 (0.65) ADCY1LMNAKMT2AOPRK1HTT
SCHEMBL26665233 0.87 ADCY1 (0.65) ADCY1LMNAKMT2AOPRK1HTT
SCHEMBL22589706 0.87 ADCY1 (0.67) ADCY1KCNK2KCNK10LMNAOPRK1
SCHEMBL22594290 0.86 LMNA (0.61) ADCY1LMNAKMT2AOPRK1HTT
SCHEMBL22589762 0.86 ADCY1 (0.51) ADCY1KCNK2LMNAKMT2AOPRK1
SCHEMBL30656658 0.82 LMNA (0.58) ADCY1LMNAKMT2AOPRK1HTT
SCHEMBL26665224 0.82 LMNA (0.58) ADCY1LMNAKMT2AOPRK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents PURDUE RESEARCH FOUNDATION 2022-08-11 — — US disclosed
EP-3958679-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS Purdue Research Foundation (US) 2022-03-02 — — EP disclosed
WO-2020219792-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2020-10-29 — — WO disclosed
WO-2020219792-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2020-10-29 — — 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 (1 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-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents SFXN3, CCR3, SF3A3 ADCY1 4672/4885KCNK2 2975/4885KCNK10 2274/4885

“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.

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