SCHEMBL2474484

SCHEMBL2474484

COc1ccc(OCC(O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 11/20 0.98
SMN1; SMN2 Q16637 7/20 0.98
KMT2A Q03164 6/20 0.98
MEN1 O00255 4/20 0.98
TSHR P16473 4/20 0.98
GPR55 Q9Y2T6 1/20 0.98
SLC5A2 P31639 3/20 0.86
HTT P42858 5/20 0.84
ALOX15 P16050 1/20 0.84
HSD17B10 Q99714 1/20 0.84
NPSR1 Q6W5P4 6/20 0.76
OPRM1 P35372 2/20 0.76
OPRD1 P41143 2/20 0.76
MAPK1 P28482 3/20 0.73
THRB P10828 1/20 0.73
MITF O75030 1/20 0.73
GAA P10253 2/20 0.71
MAPT P10636 1/20 0.69
TP53 P04637 3/20 0.65
POLB P06746 1/20 0.63

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
SCHEMBL2496455 0.93 SLC5A2 (1.00) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2496102 0.92 LMNA (0.98) LMNASMN1; SMN2KMT2AMEN1TSHR
Bromide SCHEMBL940477 0.91 SLC5A2 (0.97) LMNASMN1; SMN2KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL29445223 0.91 LMNA (1.00) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL13332637 0.91 SLC5A2 (0.86) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2496035 0.91 LMNA (0.89) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2497664 0.87 LMNA (0.98) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2495262 0.87 LMNA (0.91) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL14847726 0.86 SLC5A2 (0.86) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2495066 0.86 LMNA (0.98) LMNASMN1; SMN2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP claimed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP claimed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO claimed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 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-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 LMNA 2691/4885SMN1; SMN2 2259/4885KMT2A 2214/4885

“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.