SCHEMBL7796052

SCHEMBL7796052

CC(C(=O)O)c1cc2cc(N)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.56
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIM1 P11309 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ACHE P22303 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7799415 0.82 KDM4E (0.54) FLT3CA2ALDH1A1LMNAKDM4E
SCHEMBL7795539 0.81 TP53 (0.45) CA2ALOX5ALDH1A1KDM4EHPGD
SCHEMBL8327640 0.80 FLT3 (0.48) FLT3CA2NPC1ALOX5ALDH1A1
SCHEMBL14471296 0.78 ALDH1A1 (0.55) FLT3NPC1ALDH1A1LMNAKDM4E
SCHEMBL3487776 0.74 FLT3 (0.76) FLT3CA2NPC1ALDH1A1LMNA
Oxalic Acid SCHEMBL6591344 0.73 FLT3 (0.59) FLT3CA2NPC1ALDH1A1LMNA
SCHEMBL3488095 0.73 FLT3 (0.73) FLT3CA2NPC1ALDH1A1LMNA
SCHEMBL7799411 0.72 HSD11B1 (0.49) FLT3CA2ALDH1A1KDM4EHPGD
SCHEMBL31060249 0.72 FLT3 (1.00) FLT3CA2NPC1ALDH1A1LMNA
SCHEMBL17384910 0.71 AKR1C3 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103044370-A Preparation method of 5-(piperazinyl-1-yl) benzofuranyl-2-carboxamide SHANDONG ZOUPING DAZHAN NEW MATERIALS CO LTD 2013-04-17 CN disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0527189-A1 NOVEL CC-1065 ANALOGS PHARMACIA & UPJOHN COMPANY (US) 1993-02-17 EP disclosed
WO-1991016324-A1 NOVEL CC-1065 ANALOGS THE UPJOHN COMPANY (US) 1991-10-31 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 (1 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL FLT3 3049/4885CA2 3579/4885NPC1 792/4885

“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.