SCHEMBL4096062

SCHEMBL4096062

Nc1cc(NC(=O)C2CCCCC2)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 5/20 0.56
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
GRM4 Q14833 1/20 0.51
CASP3 P42574 1/20 0.50

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
SCHEMBL4083785 0.95 MEN1 (0.56) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL2239611 0.86 HPGD (0.64) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL2241850 0.82 ALDH1A1 (0.60) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL2492827 0.81 HPGD (0.56) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL8278410 0.80 ALDH1A1 (0.60) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL125695 0.79 PTPN1 (0.89) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL28656982 0.79 PTPN1 (0.89) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL4089988 0.78 HTT (0.57) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL4396338 0.78 GRM4 (0.56) PTPN1MEN1KMT2AHPGDALDH1A1
SCHEMBL678484 0.78 PTPN1 (0.74) PTPN1MEN1KMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 PTPN1 4025/4885MEN1 3889/4885KMT2A 3294/4885

“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.