SCHEMBL1109742

SCHEMBL1109742

CNc1cc(Br)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
TSHR P16473 2/20 0.36
ACP1 P24666 1/20 0.34
IDO1 P14902 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
EGFR P00533 3/20 0.32
EPHB2 P29323 1/20 0.32
ERBB2 P04626 1/20 0.32
APP P05067 1/20 0.32
MAPK14 Q16539 2/20 0.31
EPAS1 Q99814 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL18186488 0.84 HTR6 (0.40) HTR6TSHRCYP3A4RAPGEF4
SCHEMBL28982353 0.82 HTR6 (0.39) HTR6TSHRRAPGEF4
SCHEMBL29909475 0.82 HTR6 (0.39) HTR6RAPGEF4
SCHEMBL19089348 0.82 HTR6 (0.39) HTR6RAPGEF4
SCHEMBL24269714 0.82 HTR6 (0.50) HTR6TSHREGFREPHB2ERBB2
SCHEMBL16271800 0.78 ALDH1A1 (0.42) HTR6TSHRAPPCYP3A4TDP1
SCHEMBL24269920 0.77 HTR6 (0.36) HTR6
SCHEMBL13169800 0.77 ACP1 (0.47) ACP1RAPGEF4
SCHEMBL24270026 0.77 HTR6 (0.36) HTR6
SCHEMBL4410714 0.77 TTR (0.39) HTR6IDO1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed
CN-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 WO disclosed
CN-102143966-B Fluorine-containing boronic acid ester compound and method for producing same UNIMATEC CO LTD 2014-03-05 CN disclosed
EP-2325188-B1 FLUORINE-CONTAINING BORONIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING SAME UNIMATEC CO LTD (JP) 2013-06-05 EP disclosed
US-8044221-B2 Fluorine-containing boronic acid ester compound and method for producing the same UNIMATEC CO., LTD. (JP) 2011-10-25 US disclosed
US-7977510-B2 Fluorine-containing polyether compound and process for producing the same UNIMATEC CO., LTD. (JP) 2011-07-12 US disclosed
US-20110166375-A1 FLUORINE-CONTAINING BORONIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME UNIMATEC CO., LTD. (JP) 2011-07-07 US disclosed
EP-2325188-A1 FLUORINE-CONTAINING BORONIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING SAME Unimatec Co., Ltd. (JP) 2011-05-25 EP disclosed
US-20110034729-A1 FLUORINE-CONTAINING POLYETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME UNIMATEC CO., LTD. (JP) 2011-02-10 US disclosed
EP-2280037-A1 FLUORINE-CONTAINING POLYETHER COMPOUND AND METHOD FOR PRODUCING THE SAME Unimatec Co., Ltd. (JP) 2011-02-02 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 (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-20110034729-A1 FLUORINE-CONTAINING POLYETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME PBRM1, RIF1, RNF5 HTR6 2345/4885TSHR 6/4885ACP1 4498/4885
US-20110166375-A1 FLUORINE-CONTAINING BORONIC ACID ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME BCL6, FGFR1, AFF1 HTR6 3156/4885TSHR 283/4885ACP1 2763/4885

“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.