SCHEMBL2496102

SCHEMBL2496102

Cc1ccc(OCC(O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 13/20 0.98
KMT2A Q03164 7/20 0.98
HTT P42858 5/20 0.98
NPSR1 Q6W5P4 7/20 0.89
MEN1 O00255 5/20 0.89
OPRM1 P35372 2/20 0.89
OPRD1 P41143 2/20 0.89
SLC5A2 P31639 2/20 0.84
SMN1; SMN2 Q16637 7/20 0.83
TSHR P16473 6/20 0.83
GPR55 Q9Y2T6 1/20 0.83
ALOX15 P16050 1/20 0.82
HSD17B10 Q99714 1/20 0.82
GAA P10253 2/20 0.77
POLB P06746 1/20 0.75
MAPK1 P28482 4/20 0.72
MITF O75030 1/20 0.72
MAPT P10636 3/20 0.71
TP53 P04637 2/20 0.69
THRB P10828 1/20 0.69

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
SCHEMBL2497664 0.95 LMNA (0.98) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL2474484 0.92 LMNA (0.98) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL2496455 0.92 SLC5A2 (1.00) LMNAKMT2AHTTNPSR1MEN1
Bromide SCHEMBL940477 0.90 SLC5A2 (0.97) LMNAKMT2AHTTNPSR1MEN1
Hydrochloric Acid SCHEMBL29445223 0.90 LMNA (1.00) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL2496035 0.89 LMNA (0.89) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL13332637 0.89 SLC5A2 (0.86) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL2495262 0.86 LMNA (0.91) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL14847726 0.85 SLC5A2 (0.86) LMNAKMT2AHTTNPSR1MEN1
SCHEMBL2494794 0.85 LMNA (0.98) LMNAKMT2AHTTNPSR1MEN1

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 14 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
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 2691/4885KMT2A 2214/4885HTT 3022/4885

“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.