SCHEMBL3087289

SCHEMBL3087289

NCCCCN1CCCC(O)C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
BCHE P06276 3/20 0.43
DPP7 Q9UHL4 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17142474 0.94 HTR1A (0.48) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL3096566 0.89 DPP7 (0.46) HTR1AHRH2HRH1HRH3DPP7
SCHEMBL31719354 0.89 DPP7 (0.46) HTR1AHRH2HRH1HRH3DPP7
SCHEMBL3096581 0.89 DPP7 (0.46) HTR1AHRH2HRH1HRH3DPP7
SCHEMBL721962 0.86 ALDH1A1 (0.47) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL17148081 0.86 ALDH1A1 (0.47) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL17142633 0.86 ALDH1A1 (0.47) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL8296862 0.83 HTR1A (0.48) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL12280022 0.82 PDCD1 (0.44) HTR1AHRH2HRH1HRH3DPP7
SCHEMBL2674136 0.82 PDCD1 (0.44) HTR1AHRH2HRH1HRH3DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790902-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2010-09-07 US disclosed
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents PFIZER, INC. (US) 2008-12-04 US disclosed
US-7405218-B2 Isothiazole derivatives useful as anticancer agents PFIZER, INC. (US) 2008-07-29 US disclosed
CN-1616386-A Intermediate for preparing isothiazole derivatives PFIZER PROD INC (US) 2005-05-18 CN disclosed
CN-1172918-C Isothiazole derivatives as anticancer agents �Ʒ� 2004-10-27 CN disclosed
EP-1084114-B1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-08 EP disclosed
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2003-08-07 US disclosed
US-6548526-B2 Isothiazole derivatives useful as anticancer agents PFIZER INC 2003-04-15 US disclosed
US-20010020034-A1 Isothiazole derivatives useful as anticancer agents PFIZER, INC. 2001-09-06 US disclosed
CN-1303380-A Isothiazole derivatives as anticancer agents PFIZER PROD INC (US) 2001-07-11 CN disclosed
US-6235764-B1 Isothiazole derivatives useful as anticancer agents PFIZER INC. 2001-05-22 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 (3 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-20010020034-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 HTR1A 3215/4885HRH2 2244/4885HRH1 2223/4885
US-20080300249-A1 tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents CDKN1A, TK1, CDK1 HTR1A 2254/4885HRH2 1332/4885HRH1 1248/4885
US-20030149048-A1 Isothiazole derivatives useful as anticancer agents TP53, MCL1, ACIN1 HTR1A 3215/4885HRH2 2244/4885HRH1 2223/4885

“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.