SCHEMBL12601752

SCHEMBL12601752

CNC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.51
TNKS O95271 1/20 0.51
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
APAF1 O14727 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHKA P35790 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ALK Q9UM73 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL16346225 0.86 HPGD (0.62) POLBHPGDTNKSMAPK1SMN1; SMN2
SCHEMBL4307772 0.86 POLB (0.61) POLBHPGDTNKSMAPK1SMN1; SMN2
SCHEMBL1772275 0.82 ERN1 (0.60) HPGDMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL700839 0.81 CHKA (0.60) POLBHPGDTNKSMAPK1SMN1; SMN2
SCHEMBL18058255 0.80 POLB (0.60) POLBHPGDTNKSMEN1KMT2A
SCHEMBL19611154 0.79 HPGD (0.66) POLBHPGDMEN1KMT2ANPSR1
SCHEMBL21717780 0.76 PDE4B (0.64) POLBHPGDMAPK1SMN1; SMN2MEN1
SCHEMBL20149733 0.76 PDE4B (0.65) POLBMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL20449050 0.76 POLB (0.86) POLBHPGDMAPK1MEN1KMT2A
SCHEMBL10724841 0.74 POLB (0.81) POLBHPGDMEN1KMT2AHRH3

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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR POLB 1321/4885HPGD 2651/4885TNKS 676/4885

“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.