SCHEMBL21237142

SCHEMBL21237142

CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
POLB P06746 2/20 1.00
ADRB2 P07550 1/20 1.00
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2C9 P11712 1/20 0.82
CYP2C19 P33261 1/20 0.82
TSHR P16473 4/20 0.80
ALDH1A1 P00352 5/20 0.78
LMNA P02545 5/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
NPSR1 Q6W5P4 7/20 0.70
GAA P10253 3/20 0.61
HSP90AA1 P07900 3/20 0.56
TP53 P04637 2/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP19A1 P11511 1/20 0.51

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
SCHEMBL4206437 0.88 SMN1; SMN2 (0.78) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL15503864 0.88 ALDH1A1 (1.00) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL6410268 0.83 CYP1A2 (0.87) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL6406142 0.80 CYP1A2 (0.67) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL4215113 0.80 TSHR (0.76) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL6403245 0.79 TSHR (0.82) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL6404140 0.76 TSHR (0.71) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL4200762 0.76 TSHR (0.73) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL4211122 0.75 TSHR (0.62) HTTSMN1; SMN2POLBADRB2CYP1A2
SCHEMBL4206640 0.74 HTT (0.59) HTTSMN1; SMN2POLBADRB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY Board of Regents of the Nevada System of Higher Education, on behalf of the Univ of Nevada, Reno (US) 2019-08-08 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-20190240195-A1 METHODS OF TREATING MUSCULAR DYSTROPHY ITGB7, ITGA2B, ITGB1 HTT 4298/4885SMN1; SMN2 22/4885POLB 1240/4885

“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.