SCHEMBL14426679

SCHEMBL14426679

COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.92
▸ HPGD P15428 4/20 0.92
▸ GAA P10253 2/20 0.92
▸ MAPK1 P28482 1/20 0.92
▸ MEN1 O00255 3/20 0.85
▸ KMT2A Q03164 3/20 0.85
▸ LMNA P02545 4/20 0.81
▸ HTT P42858 3/20 0.81
▸ CRHBP P24387 1/20 0.81
▸ CRHR2 Q13324 1/20 0.81
▸ NPSR1 Q6W5P4 4/20 0.76
▸ ALDH1A1 P00352 4/20 0.71
▸ MAPT P10636 3/20 0.71
▸ METAP2 P50579 1/20 0.65
▸ SIRT2 Q8IXJ6 1/20 0.62
▸ TSHR P16473 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ USP2 O75604 2/20 0.55
▸ TP53 P04637 2/20 0.53

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
SCHEMBL6404885 0.87 TSHR (0.72) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL14426675 0.85 SMN1; SMN2 (0.68) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL6403463 0.79 CYP3A4 (0.73) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL27952226 0.78 MAPK1 (0.71) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL31411197 0.78 SMN1; SMN2 (0.63) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL6406121 0.78 SMN1; SMN2 (0.65) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL28670789 0.77 SIRT2 (0.66) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL4208096 0.77 SMN1; SMN2 (0.66) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL16409996 0.76 SIRT2 (1.00) SMN1; SMN2HPGDGAAMAPK1MEN1
SCHEMBL27809458 0.76 ALDH1A1 (0.63) SMN1; SMN2HPGDGAAMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 — — US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 — — 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 (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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 SMN1; SMN2 3437/4885HPGD 3910/4885GAA 4124/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 SMN1; SMN2 3437/4885HPGD 3910/4885GAA 4124/4885

“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