SCHEMBL11965679

SCHEMBL11965679

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK10 P53779 1/20 0.30
DHODH Q02127 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
SCHEMBL11965678 0.81 MAPT (0.50) ALDH1A1MAPTHPGDXBP1MAPK1
SCHEMBL86410 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDXBP1MAPK1
SCHEMBL24846023 0.78 IDO1 (0.38) ALDH1A1MAPTHPGDXBP1MAPK1
SCHEMBL11111633 0.75 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1
SCHEMBL11111635 0.75 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1
SCHEMBL13321917 0.73 ALDH1A1 (0.48) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL17123007 0.73
SCHEMBL11965654 0.71 ALDH1A1 (0.73) ALDH1A1MAPTHPGDXBP1MAPK1
SCHEMBL12700930 0.70
SCHEMBL922881 0.70 ALDH1A1 (0.55) ALDH1A1MAPTHPGDXBP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885MAPT 902/4885HPGD 546/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALDH1A1 2364/4885MAPT 4006/4885HPGD 4261/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885MAPT 902/4885HPGD 546/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2142/4885MAPT 912/4885HPGD 559/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885MAPT 1780/4885HPGD 1745/4885

“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.