SCHEMBL22275810

SCHEMBL22275810

O=C(Cc1ccccc1CO)NCCc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.60
▸ EPHX2 P34913 1/20 0.60
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51

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
SCHEMBL22275671 0.88 TAAR1 (0.65) MEN1KMT2ACA12CA1CA2
SCHEMBL22275814 0.85 HSD17B2 (0.54) MEN1KMT2ACA1CA2LMNA
SCHEMBL7655723 0.84 HTT (0.60) LTA4HEPHX2MEN1KMT2ACA12
SCHEMBL20932231 0.84 HPGD (0.57) LTA4HEPHX2MEN1KMT2ACA12
SCHEMBL20932742 0.82 HIF1A (0.54) MEN1KMT2ALMNASMN1; SMN2NPC1
SCHEMBL5681870 0.81 CA12 (0.75) LTA4HEPHX2MEN1KMT2ACA12
SCHEMBL22275809 0.80 HPGD (0.53) LTA4HEPHX2MEN1KMT2ACA12
Bromide SCHEMBL20920820 0.79 HPGD (0.52) LTA4HEPHX2MEN1KMT2ACA12
SCHEMBL22275899 0.78 TRPV1 (0.70) EPHX2KMT2ALMNATAAR1TSHR
SCHEMBL10539185 0.77 TAAR1 (0.67) MEN1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 LTA4H 3195/4885EPHX2 1057/4885MEN1 1174/4885

“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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