SCHEMBL5594972

SCHEMBL5594972

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.75
GRIK1 P39086 13/20 0.72
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 3/20 0.71
MAPT P10636 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
NFKB1 P19838 1/20 0.71
GFER P55789 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
LMNA P02545 2/20 0.61
GRIK2 Q13002 1/20 0.60
GAA P10253 2/20 0.60
GLA P06280 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL6823242 0.89 GRIK1 (0.75) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL1462332 0.88 KDM4E (0.71) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL31580808 0.88 KDM4E (0.71) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL11983339 0.86 DHODH (1.00) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL299823 0.85 GRIK1 (0.69) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL9116316 0.84 NPC1 (0.61) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL15398268 0.84 CA1 (0.67) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL4749159 0.84 DHODH (0.69) DHODHGRIK1NPC1RAB9AALDH1A1
SCHEMBL1462337 0.84 GRIK1 (1.00) GRIK1GRIK2
SCHEMBL17531719 0.84 RAB9A (0.62) DHODHGRIK1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 WO disclosed
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
CN-1215990-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-05-05 CN disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 DHODH 2728/4885GRIK1 3385/4885NPC1 6/4885
US-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN DHODH 2703/4885GRIK1 3379/4885NPC1 1517/4885

“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.