SCHEMBL19926330

SCHEMBL19926330

CN(C(=O)O)C(CN)c1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ ALOX5 P09917 2/20 0.45
▸ ACKR3 P25106 2/20 0.37
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ AGTR2 P50052 1/20 0.32
▸ CHRM2 P08172 1/20 0.32

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
SCHEMBL21116501 0.81 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL14909745 0.81 ALOX5 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL14909743 0.81 ALOX5 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL29433052 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL29433062 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
SCHEMBL19926247 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
Hydrochloric Acid SCHEMBL29433046 0.78 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
Hydrochloric Acid SCHEMBL28704545 0.78 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
Hydrochloric Acid SCHEMBL28698062 0.78 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5
Hydrochloric Acid SCHEMBL29433049 0.78 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALOX5

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-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 — — US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 — — US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 — — US disclosed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 — — EP disclosed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 — — US disclosed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 — — WO 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 (4 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-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R CHRNB2 3615/4885CHRNB4 3852/4885CHRNA3 2522/4885
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME UMPS, METTL3, UTS2R CHRNB2 3615/4885CHRNB4 3852/4885CHRNA3 2522/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R CHRNB2 3615/4885CHRNB4 3852/4885CHRNA3 2522/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R CHRNB2 3615/4885CHRNB4 3852/4885CHRNA3 2522/4885

“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