SCHEMBL2107590

SCHEMBL2107590

O=C(O)c1ccc(C(=O)N2Cc3ccccc3C2=O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
XIAP P98170 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38

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
SCHEMBL1200850 0.80 ACHE (0.46) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL1370711 0.78 KMT2A (0.50) KDM4ESMN1; SMN2HTTMAPTALOX15
SCHEMBL27840846 0.73 ACHE (0.47) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL1206338 0.72 KDM4E (0.46) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL1201562 0.72 UNG (0.45) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL29606824 0.71 KDM4E (0.57) KDM4ESMN1; SMN2HTTMAPTALOX15
SCHEMBL2065531 0.71 KDM4E (0.57) KDM4ESMN1; SMN2HTTMAPTALOX15
SCHEMBL6391108 0.71 KDM4E (0.45) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL1164957 0.71 ALDH1A1 (0.53) KDM4ESMN1; SMN2HTTACHEBACE1
SCHEMBL1179178 0.70 HTT (0.44) KDM4ESMN1; SMN2HTTACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 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 (2 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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 KDM4E 2890/4885SMN1; SMN2 4323/4885HTT 3492/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 KDM4E 2890/4885SMN1; SMN2 4323/4885HTT 3492/4885

“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.