SCHEMBL26613402

SCHEMBL26613402

FC(F)(F)c1ccc2nc(-c3ccccc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
NPBWR1 P48145 1/20 0.51
ESR1 P03372 2/20 0.49
TOP1 P11387 2/20 0.49
DGAT1 O75907 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KIF11 P52732 1/20 0.46
ESR2 Q92731 1/20 0.45
MET P08581 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
AR P10275 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DHODH Q02127 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
SCHEMBL26613557 0.81 ESR1 (0.46) BACE1ESR1MAOAMAOBESR2
SCHEMBL19283166 0.80 KDM4E (0.57) BACE1MAOAMAOBNPC1RAB9A
SCHEMBL15831589 0.80 CBFB (0.57) BACE1TOP1KCNH2METNPC1
SCHEMBL22734790 0.79 NPC1 (0.62) TOP1KIF11NPC1RAB9AAR
SCHEMBL29544777 0.79 NPC1 (0.62) TOP1KIF11NPC1RAB9AAR
SCHEMBL29746381 0.79 CTSS (0.54) MAOBNPC1RAB9AARCYP1A2
SCHEMBL28118653 0.79 TOP1 (0.58) NPBWR1ESR1TOP1DGAT1KCNH2
SCHEMBL1416671 0.79 CTSS (0.54) MAOBNPC1RAB9AARCYP1A2
SCHEMBL26819706 0.78 NPC1 (0.51) TOP1MAOBNPC1RAB9AAR
SCHEMBL29746147 0.78 KIF11 (0.56) BACE1ESR1KIF11ESR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2026-03-26 US disclosed
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof TORAY INDUSTRIES, INC. (JP) 2026-03-10 US disclosed
EP-4545079-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS Toray Industries, Inc. (JP) 2025-04-30 EP disclosed
CN-119403554-A Therapeutic or prophylactic agent for amyotrophic lateral sclerosis 东丽株式会社 2025-02-07 CN disclosed
US-20240116903-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2024-04-11 US disclosed
WO-2023249107-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR PERIPHERAL NERVE DISORDER 東レ株式会社 2023-12-28 WO disclosed
WO-2023249106-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS 東レ株式会社 2023-12-28 WO disclosed
WO-2023249105-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR DRUG-INDUCED MYOCARDIAL DISORDERS 東レ株式会社 2023-12-28 WO disclosed
EP-4269392-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF Toray Industries, Inc. (JP) 2023-11-01 EP disclosed
EP-4269392-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF Toray Industries, Inc. (JP) 2023-11-01 EP disclosed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 CN disclosed
WO-2022138888-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF 東レ株式会社 2022-06-30 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 (3 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-20240116903-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF AIFM2, TXNRD2, NFE2L2 BACE1 878/4885NPBWR1 3984/4885ESR1 3731/4885
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS AIFM2, GPX1, SOD1 BACE1 739/4885NPBWR1 3269/4885ESR1 3396/4885
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof AIFM2, GPX1, GPX4 BACE1 1013/4885NPBWR1 2379/4885ESR1 3178/4885

“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.