SCHEMBL12738487

SCHEMBL12738487

O=Cc1nc(C2CC2)nc(NC(C=O)Cc2c[nH]c3ccccc23)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.45
▸ GHSR Q92847 1/20 0.37
▸ SOS1 Q07889 2/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ NR3C1 P04150 7/20 0.36
▸ BBOX1 O75936 2/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1609942 0.72 TDP1 (0.49) ITGB2ICAM1ITGALNR3C1BBOX1
SCHEMBL1609510 0.71 TDP1 (0.61) BBOX1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL1610962 0.71 TDP1 (0.48) ITGB2ICAM1ITGALNR3C1BBOX1
SCHEMBL1610959 0.71 TDP1 (0.48) ITGB2ICAM1ITGALNR3C1BBOX1
SCHEMBL12085748 0.70 CTSL (0.58) CTSLSLC6A4SMN1; SMN2MEN1MAPT
SCHEMBL9728200 0.70 CTSL (0.62) CTSLSLC6A4SMN1; SMN2MEN1MAPT
SCHEMBL15722175 0.70 CTSL (0.62) CTSLSLC6A4SMN1; SMN2MEN1MAPT
SCHEMBL12126312 0.70 CTSL (0.62) CTSLSLC6A4SMN1; SMN2MEN1MAPT
SCHEMBL14532871 0.70 CTSL (0.63) CTSLSLC6A4SMN1; SMN2MEN1MAPT
SCHEMBL13458539 0.68 CTSL (0.50) CTSLNR3C1PGRNR3C2SMN1; SMN2

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 — — 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CTSL 4603/4885GHSR 1732/4885SOS1 355/4885

“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