SCHEMBL13896556

SCHEMBL13896556

Cc1ccc(O)c(CNCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CA12 O43570 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MPO P05164 1/20 0.41

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
SCHEMBL2795115 0.91 NPSR1 (0.55) AMY1ANPSR1CA12CA2GAA
SCHEMBL18754079 0.86 AMY1A (0.49) AMY1ANPSR1CA12CA2GAA
SCHEMBL24454069 0.84 AMY1A (0.47) AMY1ANPSR1CA12CA2GAA
SCHEMBL12995999 0.83 AMY1A (0.46) AMY1ANPSR1CA12CA2GAA
Acetic Acid SCHEMBL11587316 0.83 NPSR1 (0.49) AMY1ANPSR1CA12CA2GAA
Hydrochloric Acid SCHEMBL28917664 0.83 AMY1A (0.46) AMY1ANPSR1CA12CA2GAA
SCHEMBL15383498 0.81 AMY1A (0.52) AMY1ANPSR1CA12CA2GAA
SCHEMBL21214895 0.81 TERT (0.47) AMY1ANPSR1CA12CA2GAA
SCHEMBL11119500 0.80 CA12 (0.51) AMY1ANPSR1CA12CA2CA9
SCHEMBL16791829 0.79 OXTR (0.56) NPSR1CA12CA2MEN1KMT2A

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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 — — US disclosed
EP-2323995-B1 POLYMERIZABLE BENZOXAZINE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2012-11-21 — — EP disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 — — US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 — — 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 (2 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-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 AMY1A 4579/4885NPSR1 3944/4885CA12 3800/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 AMY1A 3420/4885NPSR1 3762/4885CA12 2740/4885

“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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