SCHEMBL2494637

SCHEMBL2494637

COc1ccccc1OCCn1c(=N)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.70
LMNA P02545 5/20 0.65
TSHR P16473 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
THRB P10828 1/20 0.65
HTT P42858 1/20 0.65
GAA P10253 2/20 0.56
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
SLC5A2 P31639 3/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL3207181 0.85 TP53 (0.66) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL3205551 0.82 LMNA (0.67) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL2495066 0.80 LMNA (0.98) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL3194997 0.79 LMNA (0.69) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL3199848 0.78 TP53 (0.60) TP53LMNATSHRSMN1; SMN2MAPT
SCHEMBL3194234 0.76 LMNA (0.65) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL1170484 0.76 LMNA (1.00) LMNATSHRSMN1; SMN2KMT2AHTT
SCHEMBL3205573 0.76 TP53 (0.54) TP53LMNATSHRSMN1; SMN2MEN1
SCHEMBL13332640 0.75 LMNA (0.76) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3188073 0.75 SLC5A2 (0.64) TP53LMNATSHRSMN1; SMN2MEN1

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 15 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
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 TP53 25/4885LMNA 2691/4885TSHR 1143/4885

“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.