SCHEMBL4401546

SCHEMBL4401546

COCOc1cccc(CBr)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
MAOB P27338 7/20 0.43
FFAR1 O14842 1/20 0.43
FYN P06241 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL31214329 0.84 KDM4E (0.50) BCHEMAOBKDM4EALDH1A1IDO1
SCHEMBL2062788 0.84 KDM4E (0.50) BCHEMAOBKDM4EALDH1A1IDO1
SCHEMBL14117318 0.83 KDM4E (0.56) BCHEMAOBFFAR1FYNKDM4E
SCHEMBL21116575 0.83 IDO1 (0.50) BCHEMAOBFFAR1KDM4EALDH1A1
SCHEMBL3978680 0.82 KDM4E (0.52) BCHEMAOBKDM4EALDH1A1
SCHEMBL1607526 0.82 MAOB (0.48) MAOBFFAR1KDM4EALDH1A1
SCHEMBL6489910 0.81 MAOB (0.54) MAOBFFAR1FYNTAAR1IDO1
SCHEMBL7323232 0.81 MAOB (0.43) BCHEMAOBFFAR1FYNKDM4E
SCHEMBL1135279 0.81 FYN (0.56) MAOBFFAR1FYNKDM4EALDH1A1
SCHEMBL2438260 0.81 MAOB (0.43) MAOBFFAR1FYNKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640114-A PD-L1 targeted molecular probe and preparation method and application thereof 江苏省原子医学研究所 2023-08-25 CN claimed
CN-116640114-B PD-L1 targeted molecular probe and preparation method and application thereof 江苏省原子医学研究所 2024-05-14 CN disclosed
CN-116640114-A PD-L1 targeted molecular probe and preparation method and application thereof 江苏省原子医学研究所 2023-08-25 CN disclosed
US-10000443-B2 Compositions and methods for glucose transport inhibition OHIO UNIVERSITY (US) 2018-06-19 US disclosed
US-20160137585-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2016-05-19 US disclosed
US-20160137585-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2016-05-19 US disclosed
US-9181162-B2 Compositions and methods for glucose transport inhibition OHIO UNIVERSITY (US) 2015-11-10 US disclosed
US-9181162-B2 Compositions and methods for glucose transport inhibition OHIO UNIVERSITY (US) 2015-11-10 US disclosed
US-20120121536-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2012-05-17 US disclosed
US-20120121536-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION OHIO UNIVERSITY (US) 2012-05-17 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
CN-1213980-C Vitamin D analogues GALDERMA RES & DEV (FR) 2005-08-10 CN disclosed
CN-1616452-A Vitamin d analogues GALDERMA RES & DEV (FR) 2005-05-18 CN disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US disclosed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN disclosed
US-6506757-B1 A peroxisome proliferator activated receptor regulator containing a carboxylic acid derivative, is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive and/or a remedy for diseases associating metabolic disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 US disclosed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 CN disclosed
EP-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP 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 (5 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-20160137585-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION SLC2A1, SLC2A4, SLC2A3 BCHE 4803/4885MAOB 4311/4885FFAR1 169/4885
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD BCHE 2411/4885MAOB 3666/4885FFAR1 9/4885
US-20120121536-A1 COMPOSITIONS AND METHODS FOR GLUCOSE TRANSPORT INHIBITION SLC2A1, SLC2A4, SLC2A3 BCHE 4803/4885MAOB 4311/4885FFAR1 169/4885
US-10000443-B2 Compositions and methods for glucose transport inhibition SLC2A1, SLC2A4, SLC2A3 BCHE 4803/4885MAOB 4311/4885FFAR1 169/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD BCHE 1801/4885MAOB 3150/4885FFAR1 12/4885

“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.