SCHEMBL4515666

SCHEMBL4515666

O=C(c1[c]cccc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
FAAH O00519 1/20 0.54

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
SCHEMBL28377875 0.92 TP53 (0.61) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28377910 0.91
SCHEMBL28373339 0.91 LMNA (0.61) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28374054 0.91 KDM4E (0.55) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28379969 0.88 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28375732 0.87 FAAH (0.58) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL28885931 0.87 SIGMAR1 (0.68) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL28377450 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNATSHR
SCHEMBL28374694 0.86 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2LMNAMAPK1
SCHEMBL1921739 0.86 L3MBTL1 (0.43) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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
CN-110615774-B Benzyl piperazine compound with anti-inflammatory activity, preparation method and medical application 安徽中医药大学 2022-11-11 CN disclosed
CN-110615774-A Benzyl piperazine compound with anti-inflammatory activity, preparation method and medical application 安徽中医药大学 2019-12-27 CN disclosed
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

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 ALDH1A1 234/4885KDM4E 4820/4885KMT2A 4760/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885KDM4E 4801/4885KMT2A 4737/4885

“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.