SCHEMBL21614743

SCHEMBL21614743

FC(F)(F)c1cc(SCc2ccc(-c3ccc(Cl)cc3)cn2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LOX P28300 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL21614744 0.90 HDAC1 (0.36) DAOLOXL2LOXIDO1
SCHEMBL21614746 0.90 LOXL2 (0.35) DAOMAPTTDP1HPGDL3MBTL1
SCHEMBL21611925 0.83 CYP3A4 (0.41) RAB9ANPC1SMN1; SMN2LOXL2MEN1
SCHEMBL21611924 0.82 CDK2 (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL21611963 0.81 LOXL2 (0.38) DAOMAPTHPGDRAB9ALOXL2
SCHEMBL21611945 0.80 LOXL2 (0.38) DAOLOXL2MEN1KMT2ALOX
SCHEMBL21611938 0.79 LTA4H (0.40) L3MBTL1LOXL2POLBALDH1A1LOX
SCHEMBL21611942 0.78 PPARD (0.47) MAPTTDP1HPGDL3MBTL1RAB9A
SCHEMBL21611981 0.75 PTGS2 (0.53) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21614761 0.75 KDM1A (0.37) MAPTHPGDRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — 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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 DAO 3436/4885MAPT 4857/4885TDP1 4785/4885

“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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