SCHEMBL22589774

SCHEMBL22589774

O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ USP2 O75604 1/20 0.48
▸ ADCY1 Q08828 4/20 0.47
▸ KCNK2 O95069 4/20 0.46
▸ KCNK10 P57789 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CXCR5 P32302 1/20 0.46
▸ APLNR P35414 1/20 0.46
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL22589868 0.88 KCNK2 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL22594339 0.88 ADCY1 (0.54) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL22594340 0.86 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL17717062 0.84 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL22589775 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL18838505 0.82 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL22589717 0.82 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL22589768 0.82 ADCY1 (0.69) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL22589724 0.81 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL22589858 0.81 ADCY1 (0.71) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A

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 KDM4E 2632/4885ALDH1A1 3594/4885SMN1; SMN2 1767/4885

“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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