SCHEMBL14837366

SCHEMBL14837366

N=c1n(CCCOc2ccccc2)c2ccccc2n1Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
TP53 P04637 3/20 0.50
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
SLC5A2 P31639 1/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL2497313 0.91 TP53 (0.63) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL2497323 0.89 MAPT (0.49) MAPTLMNASLC5A2HTTALOX15
SCHEMBL2496402 0.88 MAPT (0.48) MAPTLMNASMN1; SMN2SLC5A2HTT
SCHEMBL2493856 0.86 MAPT (0.64) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL2495808 0.86 MAPT (0.61) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL13331738 0.86 SLC5A2 (0.51) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL2496404 0.85 MAPT (0.48) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL2497165 0.85 MAPT (0.52) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL2496779 0.84 MAPT (0.47) MAPTTP53LMNASMN1; SMN2SLC5A2
SCHEMBL2493689 0.82 MAPT (0.49) MAPTTP53TSHRKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3739/4885TP53 25/4885LMNA 2691/4885

“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.