SCHEMBL2004864

SCHEMBL2004864

Brc1ccc(C(Br)Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.36
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL29480725 0.81 FDFT1 (0.34) FDFT1CHRNB2CHRNA4CYP11B1
SCHEMBL22736214 0.81 FDFT1 (0.34) FDFT1CHRNB2CHRNA4CYP11B1
SCHEMBL30550903 0.78 FDFT1 (0.35) FDFT1CHRNB2CHRNA4CYP11B1
SCHEMBL2593552 0.78 FDFT1 (0.35) FDFT1CHRNB2CHRNA4CYP11B1
SCHEMBL18724653 0.78 FDFT1 (0.35) FDFT1CHRNB2CHRNA4CYP11B1CYP19A1
SCHEMBL4373548 0.78 NPC1 (0.42) FDFT1CHRNB2CHRNA4
SCHEMBL30955208 0.78 NPC1 (0.42) FDFT1CHRNB2CHRNA4
SCHEMBL28571826 0.76 HTR2A (0.34) FDFT1CHRNB2CHRNA4CYP11B1
SCHEMBL21834709 0.76 FDFT1 (0.35) FDFT1CHRNB2CHRNA4CYP19A1
SCHEMBL1842272 0.76 FDFT1 (0.35) FDFT1CHRNB2CHRNA4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
CN-107531685-B Compounds with antitumor activity AB科学有限公司 2021-04-23 CN disclosed
EP-3053920-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2020-04-08 EP disclosed
US-10570122-B2 Compounds with anti-tumoral activity AB SCIENCE (FR) 2020-02-25 US disclosed
US-10570122-B2 Compounds with anti-tumoral activity AB SCIENCE (FR) 2020-02-25 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180202388-A1 PISTON FOR AN INTERNAL COMBUSTION ENGINE AND METHOD FOR PRODUCING THE PISTON FOR AN INTERNAL COMBUSTION ENGINE FELT PRODUCTS MFG. CO. LLC 2018-07-19 US disclosed
US-20180079747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2018-03-22 US disclosed
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007109290-A2 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER PHARMACYCLICS, INC. (US) 2007-09-27 WO disclosed
US-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER PHARMACYCLICS, INC (US) 2007-09-20 US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 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 (6 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP FDFT1 4319/4885CHRNB2 1339/4885CHRNA4 2682/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP FDFT1 3439/4885CHRNB2 2625/4885CHRNA4 3042/4885
US-10570122-B2 Compounds with anti-tumoral activity MKI67, GZMB, RB1 FDFT1 2678/4885CHRNB2 4751/4885CHRNA4 4858/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR FDFT1 3473/4885CHRNB2 1715/4885CHRNA4 1819/4885
US-20180079747-A1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY MKI67, TP53, VHL FDFT1 2769/4885CHRNB2 4751/4885CHRNA4 4867/4885
US-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 FDFT1 4221/4885CHRNB2 4589/4885CHRNA4 4628/4885

“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.