SCHEMBL9404133

SCHEMBL9404133

CS/C(S)=C(\C#N)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.38
MAPK10 P53779 3/20 0.38
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRB2 P47870 2/20 0.33
KCNH2 Q12809 1/20 0.31

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
SCHEMBL9404134 1.00 MAPT (0.48) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL11011008 1.00 MAPT (0.48) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL1416929 0.77 MAPT (0.52) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL8402032 0.77
SCHEMBL8537626 0.77
SCHEMBL11965678 0.76 MAPT (0.50) MAPTALDH1A1HPGDTP53L3MBTL1
SCHEMBL11009383 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
SCHEMBL14012905 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
SCHEMBL11009384 0.75 IDO1 (0.37) MAPTALDH1A1HPGDTP53TSHR
Water SCHEMBL597798 0.74 MAPK10 (0.38) MAPTALDH1A1HPGDTP53L3MBTL1

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
JP-6192245-A None JP disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
JP-H06192245-A PRODUCTION OF ISOTHIAZOLONE DERIVATIVE NIPPON NOHYAKU CO LTD 1994-07-12 JP 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-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPT 902/4885ALDH1A1 2270/4885HPGD 546/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPT 912/4885ALDH1A1 2142/4885HPGD 559/4885

“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.