SCHEMBL22065273

SCHEMBL22065273

CCC(CC)c1nnc(NC(=O)c2cc(Cl)c(O)cc2[N+](=O)[O-])s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ PTPN5 P54829 1/20 0.54
▸ PTPN11 Q06124 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PKM P14618 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL20631173 0.82 POLB (0.70) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631014 0.82 POLB (0.57) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL22065498 0.81 ALDH1A1 (0.48) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631693 0.80 POLB (0.55) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631694 0.80 ALDH1A1 (0.59) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20630576 0.79 ALDH1A1 (0.58) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631234 0.79 POLB (0.64) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631219 0.79 POLB (0.64) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL20631672 0.78 GAA (0.65) ALDH1A1DUSP3PTPN5PTPN11SMN1; SMN2
SCHEMBL22028715 0.78 GAA (0.65) ALDH1A1DUSP3PTPN5PTPN11SMN1; 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 — — 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 ALDH1A1 3104/4885DUSP3 2217/4885PTPN5 2541/4885

“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.

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