SCHEMBL2505043

SCHEMBL2505043

N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.98
KMT2A Q03164 6/20 0.98
NPSR1 Q6W5P4 6/20 0.98
SMN1; SMN2 Q16637 5/20 0.98
MEN1 O00255 4/20 0.98
GAA P10253 2/20 0.98
IDE P14735 1/20 0.98
XBP1 P17861 1/20 0.98
PAX8 Q06710 1/20 0.98
MAPT P10636 4/20 0.69
TP53 P04637 3/20 0.69
F8 P00451 1/20 0.69
F5 P12259 1/20 0.69
SLC5A2 P31639 2/20 0.68
HTT P42858 5/20 0.68
MAPK1 P28482 3/20 0.68
TSHR P16473 3/20 0.68
THRB P10828 1/20 0.68
MITF O75030 1/20 0.68
OPRM1 P35372 2/20 0.67

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
SCHEMBL17749503 0.86 SMN1; SMN2 (0.74) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL17749492 0.85 LMNA (0.73) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL2496035 0.84 LMNA (0.89) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL2495066 0.82 LMNA (0.98) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL2494794 0.82 LMNA (0.98) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL17749565 0.82 TP53 (0.71) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL17761742 0.82 TP53 (0.71) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL17749545 0.82 SMN1; SMN2 (1.00) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL17761713 0.82 TP53 (0.71) LMNAKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL2496455 0.81 SLC5A2 (1.00) LMNAKMT2ANPSR1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO claimed
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
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO 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
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

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.