SCHEMBL4083785

SCHEMBL4083785

Nc1cc(NC(=O)C2CCC2)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 2/20 0.54
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4096062 0.95 PTPN1 (0.58) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL25270294 0.82 MEN1 (0.68) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL2239611 0.81 HPGD (0.64) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL29462402 0.79 KMT2A (0.73) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL9706943 0.79 KMT2A (0.73) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL134242 0.79 KMT2A (0.73) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL2241850 0.78 ALDH1A1 (0.60) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL25298953 0.77 RAB9A (0.70) MEN1KMT2AHPGDLMNAHTT
SCHEMBL2492827 0.77 HPGD (0.56) MEN1KMT2AHPGDLMNAALOX15
SCHEMBL12825257 0.76 NPSR1 (0.65) HPGDLMNAHTTSMN1; SMN2ALDH1A1

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
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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 (3 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 4161/4885KMT2A 3255/4885HPGD 3706/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885HPGD 3497/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MEN1 3889/4885KMT2A 3294/4885HPGD 3497/4885

“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.