SCHEMBL4515670

SCHEMBL4515670

O=C(c1cc[c]cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.76
ALDH1A1 P00352 1/20 0.76
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
LMNA P02545 3/20 0.69
MAPK1 P28482 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
SIGMAR1 Q99720 1/20 0.65
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
NPC1 O15118 1/20 0.63
PKM P14618 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM3 P20309 1/20 0.62

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
SCHEMBL1019998 0.89 KDM4E (0.94) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL9645824 0.89 KDM4E (0.94) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2947765 0.86 CYP3A4 (0.65) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28292804 0.84 HPGD (0.63) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL13149349 0.84 KDM4E (0.78) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4486386 0.84 KDM4E (0.78) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL25041158 0.82 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL17696082 0.82 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7474168 0.82 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4516322 0.82 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA

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-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB KDM4E 4820/4885ALDH1A1 234/4885MEN1 1164/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC KDM4E 4801/4885ALDH1A1 174/4885MEN1 1761/4885

“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.