SCHEMBL3524593

SCHEMBL3524593

NNCc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.56
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
PYCR1 P32322 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
HTR2A P28223 1/20 0.48
AGER Q15109 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TGM2 P21980 1/20 0.44
OGG1 O15527 1/20 0.43
LMNA P02545 2/20 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
Tert-Butyl Formate SCHEMBL27973140 0.78 TDP1 (0.42) IDO1CYP3A4MAPTPYCR1CA1
SCHEMBL8151807 0.78 PYCR1 (0.64) MAPTPYCR1TAAR1HTR2AAGER
SCHEMBL16938676 0.76 IDO1 (0.59) IDO1CYP3A4MAPTTAAR1CA1
SCHEMBL12712054 0.76 IDO1 (0.59) IDO1CYP3A4MAPTCA1CA2
SCHEMBL11445092 0.75 TAAR1 (0.61) IDO1CYP3A4MAPTTAAR1HTR2A
SCHEMBL13693048 0.74 IDO1 (0.56) IDO1CYP3A4MAPTTAAR1AGER
SCHEMBL6897106 0.74 PYCR1 (0.54) IDO1MAPTPYCR1TAAR1HTR2A
SCHEMBL2759494 0.74 PYCR1 (0.48) IDO1MAPTPYCR1TAAR1HTR2A
SCHEMBL18901015 0.74 PYCR1 (0.48) IDO1MAPTPYCR1TAAR1HTR2A
SCHEMBL3984607 0.74 IDO1 (0.56) IDO1CYP3A4MAPTTAAR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011546-A1 HUMAN CASEINOLYTIC PROTEASE P AGONISTS AND USES THEREOF ACELON THERAPEUTICS (CN) 2025-01-16 WO disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-107074801-B Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2021-11-05 CN disclosed
EP-3097089-B1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS INC (US) 2021-02-24 EP disclosed
WO-2017069601-A1 SUBSTITUTED AMINOALKYLAZOLES AS MALARIAL ASPARTIC PROTEASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2017-04-27 WO disclosed
EP-3097089-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS AbbVie Inc. (US) 2016-11-30 EP disclosed
US-9464082-B2 Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators ABBVIE INC. (US) 2016-10-11 US disclosed
US-20150225397-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. 2015-08-13 US disclosed
WO-2015112792-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS ABBVIE INC. (US) 2015-07-30 WO disclosed
US-7807677-B2 HIV protease inhibitors MEDIVIR AB (SE) 2010-10-05 US disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4076943-A DIURETICS, SALURETICS, ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4061653-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US 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-20150225397-A1 ARYL AND ARYLALKYL SUBSTITUTED PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS GPX4, TXN2, MPO IDO1 370/4885CYP3A4 310/4885MAPT 4461/4885

“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.