SCHEMBL1706725

SCHEMBL1706725

CN(C)C(=O)c1cc(Cl)c(C(=O)Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TYK2 P29597 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACLY P53396 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL1707624 0.84 TTR (0.42) ALDH1A1TYK2HSD11B1HPGDSMN1; SMN2
SCHEMBL104060 0.78 ALDH1A1 (0.54) ALDH1A1HSD11B1HPGDTSHRHTT
SCHEMBL9808238 0.78 HSD11B1 (0.55) ALDH1A1HSD11B1HPGDSMN1; SMN2GAA
SCHEMBL12221612 0.75 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2HSP90AA1HTT
SCHEMBL1004039 0.74 TPMT (0.52) ALDH1A1HPGDSMN1; SMN2ACLYTSHR
SCHEMBL3784787 0.74 TPMT (0.46) ALDH1A1HPGDSMN1; SMN2ACLYHTT
SCHEMBL14060425 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL14060625 0.72 CA12 (0.50) ALDH1A1HPGDSMN1; SMN2ACLYTSHR
SCHEMBL14059763 0.72 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2ACLYTSHR
SCHEMBL7270831 0.72 ALDH1A1 (0.52) ALDH1A1HPGDTSHRHTTRAB9A

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 — — EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 — — WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1560/4885TYK2 21/4885HSD11B1 1140/4885

“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.

Send feedback