SCHEMBL2494794

SCHEMBL2494794

N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1CC(O)COc1ccccc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.98
KMT2A Q03164 6/20 0.98
NPSR1 Q6W5P4 6/20 0.98
SMN1; SMN2 Q16637 6/20 0.98
HTT P42858 5/20 0.98
MAPK1 P28482 3/20 0.98
MITF O75030 1/20 0.98
SLC5A2 P31639 3/20 0.86
ALOX15 P16050 2/20 0.84
HSD17B10 Q99714 2/20 0.84
MEN1 O00255 4/20 0.79
OPRM1 P35372 2/20 0.79
OPRD1 P41143 2/20 0.79
TSHR P16473 5/20 0.73
GPR55 Q9Y2T6 1/20 0.73
GAA P10253 2/20 0.68
IDE P14735 1/20 0.68
XBP1 P17861 1/20 0.68
PAX8 Q06710 1/20 0.68
THRB P10828 1/20 0.64

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
SCHEMBL2495262 0.96 LMNA (0.91) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL2496035 0.95 LMNA (0.89) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL2496455 0.93 SLC5A2 (1.00) LMNAKMT2ANPSR1SMN1; SMN2HTT
Bromide SCHEMBL940477 0.91 SLC5A2 (0.97) LMNAKMT2ANPSR1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29445223 0.91 LMNA (1.00) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL14847726 0.91 SLC5A2 (0.86) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL2497664 0.89 LMNA (0.98) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL2475654 0.86 SLC5A2 (0.79) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL2474484 0.86 LMNA (0.98) LMNAKMT2ANPSR1SMN1; SMN2HTT
SCHEMBL13332637 0.86 SLC5A2 (0.86) LMNAKMT2ANPSR1SMN1; SMN2HTT

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 2691/4885KMT2A 2214/4885NPSR1 2588/4885

“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.