SCHEMBL5524482

SCHEMBL5524482

CSc1ccccc1NC=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 4/20 0.44
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL9574588 0.84 TSHR (0.46) ALDH1A1TSHR
SCHEMBL9574593 0.81 TSHR (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL30527294 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8763290 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL20112866 0.78 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL12327584 0.77 TSHR (0.38) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL24575915 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL24575929 0.76 ADRA2A (0.41) ALDH1A1KMT2AMEN1TP53HSD17B10
SCHEMBL24576214 0.75 CCR2 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL24575887 0.75 ADRA2A (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2022135355-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR 内蒙古工业大学 2022-06-30 WO disclosed
CN-110698373-A Preparation method of N- (2- (methylthio) phenyl) acetamide compound and purification method thereof 温州大学 2020-01-17 CN disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 US disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 ALDH1A1 498/4885SMN1; SMN2 2352/4885KMT2A 4725/4885

“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.