SCHEMBL3538453

SCHEMBL3538453

Nc1ccc(N2CCCCC2)cc1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
HTT P42858 6/20 1.00
MAPT P10636 5/20 1.00
GAA P10253 4/20 1.00
MAPK1 P28482 3/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
LMNA P02545 3/20 1.00
S100B P04271 2/20 1.00
MEN1 O00255 2/20 1.00
ALOX15 P16050 2/20 1.00
KMT2A Q03164 2/20 1.00
PKM P14618 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
LGMN Q99538 5/20 0.70
KDM4E B2RXH2 3/20 0.68
RECQL P46063 2/20 0.68
PTK2B Q14289 1/20 0.68
KEAP1 Q14145 1/20 0.57
IP6K1 Q92551 1/20 0.54
POLB P06746 3/20 0.53

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
SCHEMBL3533602 0.91 LGMN (0.87) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL3536844 0.90 LGMN (0.87) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL3533660 0.90 MAPT (0.87) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL31000427 0.90 MAPT (0.87) ALDH1A1HTTMAPTGAAMAPK1
Hydrochloric Acid SCHEMBL3539659 0.88 MAPT (0.84) ALDH1A1HTTMAPTGAAMAPK1
Hydrochloric Acid SCHEMBL30501445 0.88 LGMN (0.84) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL9073400 0.88 MAPT (0.77) ALDH1A1HTTMAPTGAAMAPK1
Hydrochloric Acid SCHEMBL20598232 0.87 LGMN (0.82) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL23043599 0.84 S100B (1.00) ALDH1A1HTTMAPTGAAMAPK1
SCHEMBL8074303 0.83 MAPT (0.71) ALDH1A1HTTMAPTGAAMAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807407-B1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 EP claimed
EP-1807407-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP claimed
US-20060100201-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 US claimed
WO-2006047504-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO claimed
CN-113646899-B n-type semiconductor element, method for manufacturing n-type semiconductor element, wireless communication device, and commodity tag 东丽株式会社 2024-03-12 CN disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
CN-113646899-A n-type semiconductor element, method for manufacturing n-type semiconductor element, wireless communication device, and merchandise tag 东丽株式会社 2021-11-12 CN disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
US-7705042-B2 Class of arylamide compounds useful as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
EP-1807407-B1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 EP disclosed
CN-101084208-A Aromatic amides as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2007-12-05 CN disclosed
WO-2006047504-A1 AROMATIC AMIDES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP disclosed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP disclosed
EP-1533310-A1 Isonipecotamides for the treatment of integrin-mediated disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2005-05-25 EP disclosed
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders COSTANZO MICHAEL J (US) 2003-09-25 US disclosed
CN-1352641-A Isopiperidinecarboxamides for the treatment of integrin-mediated disorders ORTHO MCNEIL PHARM INC (US) 2002-06-05 CN disclosed
EP-1133489-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-09-19 EP disclosed
WO-2001023376-A1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-04-05 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 (4 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ALDH1A1 2216/4885HTT 3816/4885MAPT 3004/4885
US-20060100201-A1 Inhibitors of c-fms kinase MUSK, FLT3, FES ALDH1A1 4796/4885HTT 1421/4885MAPT 159/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ALDH1A1 2216/4885HTT 3816/4885MAPT 3004/4885
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders ITGB2, ITGA1, ITGB1 ALDH1A1 428/4885HTT 3866/4885MAPT 2312/4885

“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.