SCHEMBL19657170

SCHEMBL19657170

BrCc1cccc(I)c1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
IDO1 P14902 2/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL29581892 1.00 GABRA1 (0.41) GABRA1GABRB2TAAR1IDO1CYP1A2
SCHEMBL6275225 0.82 GABRA1 (0.57) GABRA1GABRB2TAAR1IDO1
SCHEMBL16956748 0.79 GABRA1 (0.39) GABRA1GABRB2TAAR1IDO1CYP1A2
SCHEMBL31051639 0.79 GABRA1 (0.39) GABRA1GABRB2TAAR1IDO1CYP1A2
SCHEMBL19443780 0.79 GABRA1 (0.50) GABRA1GABRB2TAAR1IDO1
SCHEMBL560812 0.77
SCHEMBL29506108 0.77
SCHEMBL3871871 0.76 TAAR1 (0.37) GABRA1GABRB2TAAR1IDO1
SCHEMBL31057408 0.76 TAAR1 (0.37) GABRA1GABRB2TAAR1IDO1
SCHEMBL19585380 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876411-A Compound and application thereof in synthesis of PDL1 antagonist drug molecules 杭州阿诺生物医药科技有限公司 2021-06-01 CN claimed
US-20250144253-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2025-05-08 US disclosed
EP-4444423-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF Helmholtz-Zentrum Dresden - Rossendorf e.V. (DE) 2024-10-16 EP disclosed
CN-118715214-A 3- ((3- ([ 1,1' -Biphenyl ] -3-ylmethoxy) -phenoxy) methyl) benzonitrile derivative and application thereof 赫姆霍兹-森德拉姆德雷斯顿-罗森多夫研究中心 2024-09-27 CN disclosed
CN-112313220-B PD-L1 antagonist compounds 厦门宝太生物科技股份有限公司 2023-11-03 CN disclosed
CN-116730940-A Heterocyclic substituted biphenyl compound and medical application thereof 中国药科大学 2023-09-12 CN disclosed
WO-2023104744-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2023-06-15 WO disclosed
EP-3450423-B1 BENZYL PHENYL ETHER DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USES THEREOF INST MATERIA MEDICA CAMS (CN) 2022-06-15 EP disclosed
EP-3929188-A1 PD-L1 ANTAGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-12-29 EP disclosed
CN-112876411-A Compound and application thereof in synthesis of PDL1 antagonist drug molecules 杭州阿诺生物医药科技有限公司 2021-06-01 CN disclosed
WO-2021043116-A1 BIPHENYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-03-11 WO disclosed
CN-112313220-A PD-L1 antagonist compounds 杭州阿诺生物医药科技有限公司 2021-02-02 CN disclosed
WO-2017202273-A1 BENZYL PHENYL ETHER DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USES THEREOF 中国医学科学院药物研究所 2017-11-30 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-20250144253-A1 3-((3-([1,1'-BIPHENYL]-3-YLMETHOXY)PHENOXY)METHYL)BENZONITRILE DERIVATIVES AND THE USE THEREOF CYP4B1, UGT2B7, UGT1A4 GABRA1 498/4885GABRB2 238/4885TAAR1 2260/4885

“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.