SCHEMBL21580123

SCHEMBL21580123

O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.55
▸ RAB9A P51151 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SCN9A Q15858 1/20 0.52
▸ MAOB P27338 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 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
SCHEMBL1680794 0.85 RAB9A (0.72) TSHRHTTSMN1; SMN2RAB9ALMNA
SCHEMBL21580126 0.83 SCN3A (0.56) HTTSMN1; SMN2SCN3ARAB9ALMNA
SCHEMBL19380041 0.82 TSHR (0.59) TSHRHTTSMN1; SMN2RAB9ALMNA
SCHEMBL21580137 0.82 SCN3A (0.54) SMN1; SMN2SCN3ARAB9ALMNASCN9A
SCHEMBL13491432 0.81 EGLN1 (0.52) HTTSCN3ALMNAMAPK1SCN9A
SCHEMBL21580105 0.80 NAMPT (0.59) HTTSMN1; SMN2SCN3ALMNASCN9A
SCHEMBL1681273 0.80 SCN3A (0.56) SMN1; SMN2SCN3ARAB9ALMNASCN9A
SCHEMBL21580120 0.78 NAMPT (0.53) HTTSMN1; SMN2SCN3ARAB9ALMNA
SCHEMBL21580139 0.78 LMNA (0.61) SMN1; SMN2SCN3ALMNASCN9AHPGD
SCHEMBL21580112 0.78 NAMPT (0.52) HTTSMN1; SMN2SCN3ARAB9ASCN9A

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-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218024-A1 PAIN TREATING COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 — — 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-20210230157-A1 PAIN TREATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, TRPV3 TSHR 4663/4885HTT 971/4885SMN1; SMN2 609/4885

“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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