SCHEMBL6979704

SCHEMBL6979704

ONCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
THRB P10828 1/20 0.56
AGER Q15109 1/20 0.52
TGM2 P21980 1/20 0.48
PYCR1 P32322 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HTR2A P28223 1/20 0.42

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
Hydrochloric Acid SCHEMBL21724806 0.97 IDO1 (0.54) IDO1THRBAGERTGM2PYCR1
SCHEMBL921682 0.87 SRD5A2 (0.47) IDO1THRBAGERTGM2PYCR1
SCHEMBL8151807 0.78 PYCR1 (0.64) AGERTGM2PYCR1L3MBTL1MEN1
SCHEMBL6895044 0.76 THRB (0.59) IDO1THRBNOS1NOS2MEN1
SCHEMBL17065246 0.76 THRB (0.59) IDO1THRBAGERL3MBTL1NOS1
SCHEMBL1505831 0.74 MEN1 (0.58) IDO1THRBNOS1NOS2MEN1
Hydrochloric Acid SCHEMBL17065240 0.74 THRB (0.56) IDO1THRBAGERL3MBTL1NOS1
SCHEMBL7754741 0.74 THRB (0.56) IDO1THRBL3MBTL1NOS1NOS2
SCHEMBL131948 0.74 IDO1 (0.56) IDO1THRBNOS1NOS2CYP1A2
SCHEMBL6897106 0.74 PYCR1 (0.54) IDO1AGERTGM2PYCR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129221-B2 Difluoro phenyl amide RIP1 inhibitor SIRONAX LTD (KY) 2024-10-29 US disclosed
CN-113272272-B RIP1 inhibitors 圣瑞诺有限公司 2023-04-07 CN disclosed
EP-3883918-A1 RIP1 INHIBITORS Sironax Ltd (KY) 2021-09-29 EP disclosed
US-20210284598-A1 RIP1 Inhibitors SIRONAX LTD (KY) 2021-09-16 US disclosed
WO-2016133217-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE OXINDOLE COMPOUND AND TRIAZOLIUM SALT USED THEREIN AS CATALYST 国立大学法人名古屋大学 2016-08-25 WO disclosed
WO-2007015775-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998016830-A9 DROPLET ASSAY SYSTEM 1998-08-13 WO disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 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-20210284598-A1 RIP1 Inhibitors RIPK1, RIPK3, RIPK4 IDO1 832/4885THRB 3411/4885AGER 3101/4885
US-12129221-B2 Difluoro phenyl amide RIP1 inhibitor RIPK1, RIPK3, RIPK4 IDO1 1210/4885THRB 2582/4885AGER 3362/4885

“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.