SCHEMBL1330599

SCHEMBL1330599

O=C(O)C1(c2ccccc2)C=CC=N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.37
HSD11B1 P28845 2/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC4 P56524 2/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
F2 P00734 1/20 0.30

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
SCHEMBL15380747 0.85 TDP1 (0.33) AKR1C1HSD11B1PKMKMT2AHDAC9
SCHEMBL16433076 0.78 LMNA (0.38) HSD11B1PKMKMT2ALMNA
SCHEMBL8723682 0.74 NAPRT (0.33)
SCHEMBL28039715 0.69 OPRM1 (0.31) KMT2A
SCHEMBL27809189 0.69 ALDH1A1 (0.31) LMNA
SCHEMBL27972084 0.67 ALDH1A1 (0.30) LMNA
SCHEMBL31291528 0.67 AKR1C1 (0.42) AKR1C1PKMKMT2ALMNAHTT
SCHEMBL9877949 0.67 PNMT (0.35)
Toluene SCHEMBL19690594 0.67 LMNA (0.39) KMT2ALMNA
SCHEMBL27799525 0.66 MEN1 (0.38) KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN AKR1C1 1495/4885HSD11B1 1288/4885PKM 1367/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN AKR1C1 1495/4885HSD11B1 1288/4885PKM 1367/4885

“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.