SCHEMBL22589768

SCHEMBL22589768

O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 5/20 0.69
▸ KDM4E B2RXH2 14/20 0.66
▸ MEN1 O00255 7/20 0.66
▸ KMT2A Q03164 7/20 0.66
▸ LMNA P02545 8/20 0.64
▸ SMN1; SMN2 Q16637 8/20 0.64
▸ HTT P42858 7/20 0.64
▸ TDP1 Q9NUW8 6/20 0.64
▸ MCOLN3 Q8TDD5 1/20 0.64
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ USP2 O75604 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ TP53 P04637 5/20 0.53
▸ ALOX15 P16050 4/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TSHR P16473 1/20 0.52

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
SCHEMBL22589718 0.85 ADCY1 (0.78) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589752 0.85 ADCY1 (0.69) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589868 0.83 KCNK2 (0.47) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589730 0.83 ADCY1 (0.74) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL20597939 0.82 ADCY1 (1.00) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589706 0.82 ADCY1 (0.67) ADCY1KDM4ELMNASMN1; SMN2HTT
SCHEMBL22589774 0.82 KDM4E (0.58) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL20598288 0.82 ADCY1 (1.00) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589707 0.81 ADCY1 (0.74) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589750 0.81 ADCY1 (0.62) ADCY1KDM4ELMNASMN1; SMN2HTT

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 3 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

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 4672/4885KDM4E 2632/4885MEN1 4209/4885

“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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