SCHEMBL12677906

SCHEMBL12677906

C/C=C/C(=S)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.42
EHMT1 Q9H9B1 3/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
ABCB11 O95342 2/20 0.42
HTT P42858 2/20 0.42
GSDMD P57764 2/20 0.42
CA4 P22748 2/20 0.42
CYP2E1 P05181 1/20 0.42
PTGS1 P23219 1/20 0.42
MGLL Q99685 4/20 0.40
PHGDH O43175 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ALDH2 P05091 2/20 0.40
CYP3A4 P08684 2/20 0.40
PLIN1 O60240 1/20 0.40
GMNN O75496 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL10469199 0.73 CA12 (0.37) EHMT2EHMT1CA12CA1CA2
SCHEMBL10469200 0.73 CA12 (0.37) EHMT2EHMT1CA12CA1CA2
SCHEMBL23892055 0.72
SCHEMBL12706059 0.70 EHMT2 (0.32) EHMT2EHMT1CA12CA1CA2
SCHEMBL21350937 0.70
SCHEMBL13068153 0.69
SCHEMBL104713 0.68 NPC1 (0.48) CA12CA1CA9CYP3A4LMNA
SCHEMBL27977920 0.68 ABCB11 (0.31) EHMT2EHMT1CA12CA1CA2
SCHEMBL104712 0.68 NPC1 (0.48) CA12CA1CA9CYP3A4LMNA
SCHEMBL10050538 0.67

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-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 EHMT2 2737/4885EHMT1 2830/4885CA12 4475/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 EHMT2 2737/4885EHMT1 2830/4885CA12 4475/4885

“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.