SCHEMBL209230

SCHEMBL209230

Nc1ncc(Cl)c(N2CCN(CC(=O)Nc3nccs3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
AURKA O14965 5/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
AURKB Q96GD4 1/20 0.51
AURKC Q9UQB9 1/20 0.51
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
KCNA5 P22460 3/20 0.49
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.45

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
SCHEMBL208675 0.89 AURKA (0.61) LMNASMN1; SMN2AURKAKCNA5KMT2A
SCHEMBL13985740 0.87 LMNA (0.57) LMNASMN1; SMN2AURKAKCNA5KMT2A
SCHEMBL209444 0.85 LMNA (0.50) LMNASMN1; SMN2AURKACYP3A4CYP2D6
SCHEMBL208531 0.82 AURKA (0.51) LMNASMN1; SMN2AURKAKCNA5
SCHEMBL14495694 0.80 HSP90AA1 (0.42) LMNASMN1; SMN2CYP3A4CYP2C9KMT2A
SCHEMBL2759414 0.80 LMNA (0.36) LMNASMN1; SMN2AURKACYP3A4CYP2D6
SCHEMBL208665 0.80 ALDH1A1 (0.40) LMNASMN1; SMN2AURKAKMT2A
SCHEMBL207701 0.79 AURKA (0.53) AURKACYP3A4CYP2D6CYP2C9KDR
SCHEMBL210917 0.77 AURKA (0.67) LMNASMN1; SMN2AURKAKCNA5KMT2A
SCHEMBL207422 0.75 EPHX2 (0.50) LMNASMN1; SMN2AURKACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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 (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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA LMNA 2674/4885SMN1; SMN2 3132/4885AURKA 3/4885

“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.